CID 491099

390815-08-4

Structural Information

Molecular Formula
C20H20N2O2
SMILES
C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC=CC=C4
InChI
InChI=1S/C20H20N2O2/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/h1,3-4,7-8,11-13,16H,2,5-6,9-10H2,(H,23,24)
InChIKey
DIHHAPXAXYGMEH-UHFFFAOYSA-N
Compound name
1-cyclohexyl-2-phenylbenzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

320.15247 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.15975 175.5
[M+Na]+ 343.14169 182.0
[M-H]- 319.14519 181.9
[M+NH4]+ 338.18629 188.4
[M+K]+ 359.11563 175.7
[M+H-H2O]+ 303.14973 165.5
[M+HCOO]- 365.15067 192.1
[M+CH3COO]- 379.16632 185.2
[M+Na-2H]- 341.12714 177.0
[M]+ 320.15192 172.4
[M]- 320.15302 172.4
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.