CID 3042281

Brn 0933167

Structural Information

Molecular Formula
C17H16N4O2
SMILES
C1=CC=C(C=C1)C(=O)NC(=O)NCCN2C=NC3=CC=CC=C32
InChI
InChI=1S/C17H16N4O2/c22-16(13-6-2-1-3-7-13)20-17(23)18-10-11-21-12-19-14-8-4-5-9-15(14)21/h1-9,12H,10-11H2,(H2,18,20,22,23)
InChIKey
JNBPABMQIYHZDU-UHFFFAOYSA-N
Compound name
N-[2-(benzimidazol-1-yl)ethylcarbamoyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.12732 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.13460 169.5
[M+Na]+ 331.11654 176.1
[M-H]- 307.12004 174.8
[M+NH4]+ 326.16114 183.3
[M+K]+ 347.09048 171.5
[M+H-H2O]+ 291.12458 159.8
[M+HCOO]- 353.12552 193.2
[M+CH3COO]- 367.14117 207.0
[M+Na-2H]- 329.10199 175.8
[M]+ 308.12677 170.6
[M]- 308.12787 170.6
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.