CID 5870218

Nsc623912

Structural Information

Molecular Formula
C22H16ClN3O
SMILES
C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CC=C2Cl)/C3=NC4=CC=CC=C4N3
InChI
InChI=1S/C22H16ClN3O/c23-17-11-5-4-10-16(17)14-20(26-22(27)15-8-2-1-3-9-15)21-24-18-12-6-7-13-19(18)25-21/h1-14H,(H,24,25)(H,26,27)/b20-14+
InChIKey
VSOLNQCYYIFZJO-XSFVSMFZSA-N
Compound name
N-[(E)-1-(1H-benzimidazol-2-yl)-2-(2-chlorophenyl)ethenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.09818 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.10546 187.4
[M+Na]+ 396.08740 195.3
[M-H]- 372.09090 194.1
[M+NH4]+ 391.13200 198.7
[M+K]+ 412.06134 186.0
[M+H-H2O]+ 356.09544 177.4
[M+HCOO]- 418.09638 203.1
[M+CH3COO]- 432.11203 196.7
[M+Na-2H]- 394.07285 190.8
[M]+ 373.09763 188.0
[M]- 373.09873 188.0
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.