CID 160081

80387-98-0

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
2
Annotation Hits

0
References

1632
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 378.5
[M+Na]+ 2194.9186 378.8
[M+NH4]+ 2189.9632 380.8
[M+K]+ 2210.8926 376.8
[M-H]- 2170.9221 379.7
[M+Na-2H]- 2192.9041 384.4
[M]+ 2171.9289 381.3
[M]- 2171.9299 381.3
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