CID 3614184

422554-26-5

Structural Information

Molecular Formula
C22H18ClN3O
SMILES
CC1=CC(=CC=C1)N2C=NC3=C2C=CC(=C3)C(=O)NCC4=CC=CC=C4Cl
InChI
InChI=1S/C22H18ClN3O/c1-15-5-4-7-18(11-15)26-14-25-20-12-16(9-10-21(20)26)22(27)24-13-17-6-2-3-8-19(17)23/h2-12,14H,13H2,1H3,(H,24,27)
InChIKey
MQCHTHJRANYSEJ-UHFFFAOYSA-N
Compound name
N-[(2-chlorophenyl)methyl]-1-(3-methylphenyl)benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

461
Patents

375.11383 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.12111 190.1
[M+Na]+ 398.10305 200.1
[M-H]- 374.10655 198.6
[M+NH4]+ 393.14765 202.6
[M+K]+ 414.07699 191.7
[M+H-H2O]+ 358.11109 179.7
[M+HCOO]- 420.11203 207.8
[M+CH3COO]- 434.12768 200.6
[M+Na-2H]- 396.08850 193.2
[M]+ 375.11328 194.4
[M]- 375.11438 194.4
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