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]+ 599.548276 255.5
[M+Na]+ 621.530218 257.0
[M-H]- 597.533724 248.6
[M+NH4]+ 616.574823 254.7
[M+K]+ 637.504158 251.6
[M+H-H2O]+ 581.538260 245.9
[M+HCOO]- 643.539201 246.0
[M+CH3COO]- 657.554851 259.6
[M+Na-2H]- 619.515666 252.7
[M]+ 598.54045142 244.7
[M]- 598.54154858 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.