CID 9574486

2-(1h-benzimidazol-2-yl)-n-[(e)-benzylideneamino]benzamide

Structural Information

Molecular Formula
C21H16N4O
SMILES
C1=CC=C(C=C1)/C=N/NC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4N3
InChI
InChI=1S/C21H16N4O/c26-21(25-22-14-15-8-2-1-3-9-15)17-11-5-4-10-16(17)20-23-18-12-6-7-13-19(18)24-20/h1-14H,(H,23,24)(H,25,26)/b22-14+
InChIKey
BSSFZUBRVZHQKG-HYARGMPZSA-N
Compound name
2-(1H-benzimidazol-2-yl)-N-[(E)-benzylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.13242 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.13970 178.1
[M+Na]+ 363.12164 185.5
[M-H]- 339.12514 186.5
[M+NH4]+ 358.16624 190.2
[M+K]+ 379.09558 178.1
[M+H-H2O]+ 323.12968 167.2
[M+HCOO]- 385.13062 202.2
[M+CH3COO]- 399.14627 188.5
[M+Na-2H]- 361.10709 184.9
[M]+ 340.13187 177.6
[M]- 340.13297 177.6
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.