CID 160081

1,3,5-triazine-2,4,6-triamine, n2,n2'-1,2-ethanediylbis(n2-(3-((4,6-bis(butyl(2,2,6,6-tetramethyl-4-piperidinyl)amino)-1,3,5-triazin-2-yl)amino)propyl)-n4,n6-dibutyl-n4,n6-bis(2,2,6,6-tetramethyl-4-piperidinyl)-

Structural Information

Molecular Formula
C124H234N32
SMILES
CCCCN(C1CC(NC(C1)(C)C)(C)C)C2=NC(=NC(=N2)NCCCN(CCN(CCCNC3=NC(=NC(=N3)N(CCCC)C4CC(NC(C4)(C)C)(C)C)N(CCCC)C5CC(NC(C5)(C)C)(C)C)C6=NC(=NC(=N6)N(CCCC)C7CC(NC(C7)(C)C)(C)C)N(CCCC)C8CC(NC(C8)(C)C)(C)C)C9=NC(=NC(=N9)N(CCCC)C1CC(NC(C1)(C)C)(C)C)N(CCCC)C1CC(NC(C1)(C)C)(C)C)N(CCCC)C1CC(NC(C1)(C)C)(C)C
InChI
InChI=1S/C124H234N32/c1-41-49-63-149(89-73-109(9,10)139-110(11,12)74-89)101-127-97(128-102(135-101)150(64-50-42-2)90-75-111(13,14)140-112(15,16)76-90)125-59-57-61-147(99-131-105(153(67-53-45-5)93-81-117(25,26)143-118(27,28)82-93)137-106(132-99)154(68-54-46-6)94-83-119(29,30)144-120(31,32)84-94)71-72-148(100-133-107(155(69-55-47-7)95-85-121(33,34)145-122(35,36)86-95)138-108(134-100)156(70-56-48-8)96-87-123(37,38)146-124(39,40)88-96)62-58-60-126-98-129-103(151(65-51-43-3)91-77-113(17,18)141-114(19,20)78-91)136-104(130-98)152(66-52-44-4)92-79-115(21,22)142-116(23,24)80-92/h89-96,139-146H,41-88H2,1-40H3,(H,125,127,128,135)(H,126,129,130,136)
InChIKey
HNKNVHRXMLUJGX-UHFFFAOYSA-N
Compound name
6-N-[3-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]amino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1655
Patents

2171.9294 Da
Monoisotopic Mass

26.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 2172.9367 335.5
[M+Na]+ 2194.9186 338.9
[M-H]- 2170.9221 327.5
[M+NH4]+ 2189.9632 333.2
[M+K]+ 2210.8926 315.4
[M+H-H2O]+ 2154.9267 320.8
[M+HCOO]- 2216.9276 332.3
[M+CH3COO]- 2230.9433 332.2
[M+Na-2H]- 2192.9041 350.7
[M]+ 2171.9289 345.6
[M]- 2171.9299 345.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe