CID 513904

Chembl178067

Structural Information

Molecular Formula
C23H26N2O2
SMILES
CC1=CC(=C(C(=C1)C)C2=NC3=C(N2C4CCCCC4)C=CC(=C3)C(=O)O)C
InChI
InChI=1S/C23H26N2O2/c1-14-11-15(2)21(16(3)12-14)22-24-19-13-17(23(26)27)9-10-20(19)25(22)18-7-5-4-6-8-18/h9-13,18H,4-8H2,1-3H3,(H,26,27)
InChIKey
HAKZNWGRHQJUBQ-UHFFFAOYSA-N
Compound name
1-cyclohexyl-2-(2,4,6-trimethylphenyl)benzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

362.19943 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.20671 190.1
[M+Na]+ 385.18865 197.9
[M-H]- 361.19215 197.1
[M+NH4]+ 380.23325 202.2
[M+K]+ 401.16259 191.2
[M+H-H2O]+ 345.19669 180.3
[M+HCOO]- 407.19763 205.5
[M+CH3COO]- 421.21328 199.5
[M+Na-2H]- 383.17410 187.8
[M]+ 362.19888 189.3
[M]- 362.19998 189.3
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.