CID 694912

N-[4-(1h-benzimidazol-2-yl)phenyl]-2-chlorobenzamide

Structural Information

Molecular Formula
C20H14ClN3O
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3)Cl
InChI
InChI=1S/C20H14ClN3O/c21-16-6-2-1-5-15(16)20(25)22-14-11-9-13(10-12-14)19-23-17-7-3-4-8-18(17)24-19/h1-12H,(H,22,25)(H,23,24)
InChIKey
MQTUJZTZDRYIIT-UHFFFAOYSA-N
Compound name
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

347.08255 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.08983 179.6
[M+Na]+ 370.07177 189.3
[M-H]- 346.07527 186.9
[M+NH4]+ 365.11637 192.3
[M+K]+ 386.04571 180.5
[M+H-H2O]+ 330.07981 169.9
[M+HCOO]- 392.08075 196.7
[M+CH3COO]- 406.09640 190.1
[M+Na-2H]- 368.05722 184.3
[M]+ 347.08200 181.2
[M]- 347.08310 181.2
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.