CID 490811

1-cyclohexyl-2-(3-furyl)-n-(4-piperidylmethyl)benzimidazole-5-carboxamide

Structural Information

Molecular Formula
C24H30N4O2
SMILES
C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NCC4CCNCC4)N=C2C5=COC=C5
InChI
InChI=1S/C24H30N4O2/c29-24(26-15-17-8-11-25-12-9-17)18-6-7-22-21(14-18)27-23(19-10-13-30-16-19)28(22)20-4-2-1-3-5-20/h6-7,10,13-14,16-17,20,25H,1-5,8-9,11-12,15H2,(H,26,29)
InChIKey
LQFTWVUELAOJFY-UHFFFAOYSA-N
Compound name
1-cyclohexyl-2-(furan-3-yl)-N-(piperidin-4-ylmethyl)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]+ 407.24416 195.3
[M+Na]+ 429.22610 197.2
[M-H]- 405.22960 203.1
[M+NH4]+ 424.27070 202.8
[M+K]+ 445.20004 191.7
[M+H-H2O]+ 389.23414 184.0
[M+HCOO]- 451.23508 207.2
[M+CH3COO]- 465.25073 201.8
[M+Na-2H]- 427.21155 192.1
[M]+ 406.23633 188.3
[M]- 406.23743 188.3
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.