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

87
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.