CID 687915

N-[(1h-1,3-benzodiazol-2-yl)methyl]benzamide

Structural Information

Molecular Formula
C15H13N3O
SMILES
C1=CC=C(C=C1)C(=O)NCC2=NC3=CC=CC=C3N2
InChI
InChI=1S/C15H13N3O/c19-15(11-6-2-1-3-7-11)16-10-14-17-12-8-4-5-9-13(12)18-14/h1-9H,10H2,(H,16,19)(H,17,18)
InChIKey
DLPWNQUPBLICPH-UHFFFAOYSA-N
Compound name
N-(1H-benzimidazol-2-ylmethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

251.10587 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.113146 154.8
[M+Na]+ 274.095088 163.0
[M-H]- 250.098594 158.9
[M+NH4]+ 269.139693 170.7
[M+K]+ 290.069028 157.2
[M+H-H2O]+ 234.103130 146.1
[M+HCOO]- 296.104071 177.2
[M+CH3COO]- 310.119721 166.5
[M+Na-2H]- 272.080536 162.1
[M]+ 251.10532142 154.2
[M]- 251.10641858 154.2
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