CID 155024

Einecs 269-707-1

Structural Information

Molecular Formula
C93H176N24
SMILES
CCCCN(C1CC(NC(C1)(C)C)(C)C)C2=NC(=NC(=N2)NCCCN(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)N(CCCC)C9CC(NC(C9)(C)C)(C)C
InChI
InChI=1S/C93H176N24/c1-31-37-49-112(67-55-82(7,8)105-83(9,10)56-67)76-96-73(97-77(102-76)113(50-38-32-2)68-57-84(11,12)106-85(13,14)58-68)94-45-43-47-111(75-100-80(116(53-41-35-5)71-63-90(23,24)109-91(25,26)64-71)104-81(101-75)117(54-42-36-6)72-65-92(27,28)110-93(29,30)66-72)48-44-46-95-74-98-78(114(51-39-33-3)69-59-86(15,16)107-87(17,18)60-69)103-79(99-74)115(52-40-34-4)70-61-88(19,20)108-89(21,22)62-70/h67-72,105-110H,31-66H2,1-30H3,(H,94,96,97,102)(H,95,98,99,103)
InChIKey
IEMBUWHXCNUYST-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]-[3-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]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
1
Annotation Hits

0
References

0
Patents

1629.4509 Da
Monoisotopic Mass

19.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1630.4582 336.1
[M+Na]+ 1652.4401 341.5
[M-H]- 1628.4436 326.0
[M+NH4]+ 1647.4847 334.1
[M+K]+ 1668.4141 312.0
[M+H-H2O]+ 1612.4482 316.6
[M+HCOO]- 1674.4491 333.3
[M+CH3COO]- 1688.4648 333.8
[M+Na-2H]- 1650.4256 353.3
[M]+ 1629.4504 355.4
[M]- 1629.4514 355.4
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

No patent data available for this compound.