CID 513906

Chembl353546

Structural Information

Molecular Formula
C20H26N2O2
SMILES
C1CCC(CC1)C2=NC3=C(N2C4CCCCC4)C=CC(=C3)C(=O)O
InChI
InChI=1S/C20H26N2O2/c23-20(24)15-11-12-18-17(13-15)21-19(14-7-3-1-4-8-14)22(18)16-9-5-2-6-10-16/h11-14,16H,1-10H2,(H,23,24)
InChIKey
PXMHFWMADFXGJC-UHFFFAOYSA-N
Compound name
1,2-dicyclohexylbenzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

326.19943 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.20671 179.0
[M+Na]+ 349.18865 182.4
[M-H]- 325.19215 184.2
[M+NH4]+ 344.23325 191.4
[M+K]+ 365.16259 176.8
[M+H-H2O]+ 309.19669 168.9
[M+HCOO]- 371.19763 191.3
[M+CH3COO]- 385.21328 187.1
[M+Na-2H]- 347.17410 177.4
[M]+ 326.19888 171.6
[M]- 326.19998 171.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.