CID 112429

Cyclohexanamine, 4,4'-methylenebis(n-(4-((4-aminocyclohexyl)methyl)cyclohexyl)-

Structural Information

Molecular Formula
C39H72N4
SMILES
C1CC(CCC1CC2CCC(CC2)NC3CCC(CC3)CC4CCC(CC4)NC5CCC(CC5)CC6CCC(CC6)N)N
InChI
InChI=1S/C39H72N4/c40-34-13-1-28(2-14-34)25-30-5-17-36(18-6-30)42-38-21-9-32(10-22-38)27-33-11-23-39(24-12-33)43-37-19-7-31(8-20-37)26-29-3-15-35(41)16-4-29/h28-39,42-43H,1-27,40-41H2
InChIKey
ZBYQZOHIYYGOGT-UHFFFAOYSA-N
Compound name
4-[[4-[[4-[[4-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]amino]cyclohexyl]methyl]cyclohexyl]amino]cyclohexyl]methyl]cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

596.5757 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 597.58298 242.8
[M+Na]+ 619.56492 228.1
[M-H]- 595.56842 250.3
[M+NH4]+ 614.60952 240.8
[M+K]+ 635.53886 220.7
[M+H-H2O]+ 579.57296 228.3
[M+HCOO]- 641.57390 240.4
[M+CH3COO]- 655.58955 238.6
[M+Na-2H]- 617.55037 227.0
[M]+ 596.57515 213.0
[M]- 596.57625 213.0
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.