CID 82017756

1504588-00-4

Structural Information

Molecular Formula
C23H20ClN3O
SMILES
CC1=CC(=C(C=C1)C)N2C=NC3=C2C=CC(=C3)C(=O)NCC4=CC=CC=C4Cl
InChI
InChI=1S/C23H20ClN3O/c1-15-7-8-16(2)22(11-15)27-14-26-20-12-17(9-10-21(20)27)23(28)25-13-18-5-3-4-6-19(18)24/h3-12,14H,13H2,1-2H3,(H,25,28)
InChIKey
CZSLEMCYYGEGKP-UHFFFAOYSA-N
Compound name
N-[(2-chlorophenyl)methyl]-1-(2,5-dimethylphenyl)benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

177
Patents

389.1295 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.13678 195.3
[M+Na]+ 412.11872 205.8
[M-H]- 388.12222 204.0
[M+NH4]+ 407.16332 207.5
[M+K]+ 428.09266 197.2
[M+H-H2O]+ 372.12676 184.9
[M+HCOO]- 434.12770 212.7
[M+CH3COO]- 448.14335 205.7
[M+Na-2H]- 410.10417 197.0
[M]+ 389.12895 200.4
[M]- 389.13005 200.4
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

patents stripe