CID 491096

Chembl173718

Structural Information

Molecular Formula
C18H22N2O2
SMILES
CC(=CC1=NC2=C(N1C3CCCCC3)C=CC(=C2)C(=O)O)C
InChI
InChI=1S/C18H22N2O2/c1-12(2)10-17-19-15-11-13(18(21)22)8-9-16(15)20(17)14-6-4-3-5-7-14/h8-11,14H,3-7H2,1-2H3,(H,21,22)
InChIKey
HKSGSHNGFFDVRH-UHFFFAOYSA-N
Compound name
1-cyclohexyl-2-(2-methylprop-1-enyl)benzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.16812 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.17540 172.1
[M+Na]+ 321.15734 178.3
[M-H]- 297.16084 175.3
[M+NH4]+ 316.20194 186.5
[M+K]+ 337.13128 173.1
[M+H-H2O]+ 281.16538 163.6
[M+HCOO]- 343.16632 187.3
[M+CH3COO]- 357.18197 202.1
[M+Na-2H]- 319.14279 171.3
[M]+ 298.16757 169.7
[M]- 298.16867 169.7
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.