CID 490813

N-(4-aminocyclohexyl)-1-cyclohexyl-2-(3-furyl)benzimidazole-5-carboxamide

Structural Information

Molecular Formula
C24H30N4O2
SMILES
C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)N=C2C5=COC=C5
InChI
InChI=1S/C24H30N4O2/c25-18-7-9-19(10-8-18)26-24(29)16-6-11-22-21(14-16)27-23(17-12-13-30-15-17)28(22)20-4-2-1-3-5-20/h6,11-15,18-20H,1-5,7-10,25H2,(H,26,29)
InChIKey
ZEUFZTQUQFALGU-UHFFFAOYSA-N
Compound name
N-(4-aminocyclohexyl)-1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.23688 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.244156 195.2
[M+Na]+ 429.226098 197.7
[M-H]- 405.229604 205.5
[M+NH4]+ 424.270703 204.5
[M+K]+ 445.200038 192.8
[M+H-H2O]+ 389.234140 184.7
[M+HCOO]- 451.235081 210.4
[M+CH3COO]- 465.250731 202.7
[M+Na-2H]- 427.211546 191.8
[M]+ 406.23633142 188.4
[M]- 406.23742858 188.4
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.