CID 91982043

Dtxsid10889040

Structural Information

Molecular Formula
C35H66N8
SMILES
CC1(CC(CC(N1)(C)C)N2CCCCCCN(C3=NC(=NC2=N3)NC(C)(C)CC(C)(C)C)C4CC(NC(C4)(C)C)(C)C)C
InChI
InChI=1S/C35H66N8/c1-30(2,3)24-35(12,13)39-27-36-28-38-29(37-27)43(26-22-33(8,9)41-34(10,11)23-26)19-17-15-14-16-18-42(28)25-20-31(4,5)40-32(6,7)21-25/h25-26,40-41H,14-24H2,1-13H3,(H,36,37,38,39)
InChIKey
YYZMHKLNUJLKSX-UHFFFAOYSA-N
Compound name
2,9-bis(2,2,6,6-tetramethylpiperidin-4-yl)-N-(2,4,4-trimethylpentan-2-yl)-2,9,11,13,14-pentazabicyclo[8.3.1]tetradeca-1(14),10,12-trien-12-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

598.541 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 599.54828 255.5
[M+Na]+ 621.53022 257.0
[M-H]- 597.53372 248.6
[M+NH4]+ 616.57482 254.7
[M+K]+ 637.50416 251.6
[M+H-H2O]+ 581.53826 245.9
[M+HCOO]- 643.53920 246.0
[M+CH3COO]- 657.55485 259.6
[M+Na-2H]- 619.51567 252.7
[M]+ 598.54045 244.7
[M]- 598.54155 244.7
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.