CID 16793220

3-amino-n-(3-cyanophenyl)benzamide

Structural Information

Molecular Formula
C14H11N3O
SMILES
C1=CC(=CC(=C1)NC(=O)C2=CC(=CC=C2)N)C#N
InChI
InChI=1S/C14H11N3O/c15-9-10-3-1-6-13(7-10)17-14(18)11-4-2-5-12(16)8-11/h1-8H,16H2,(H,17,18)
InChIKey
SBIQYLBPMQVVPS-UHFFFAOYSA-N
Compound name
3-amino-N-(3-cyanophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.09021 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.097486 161.0
[M+Na]+ 260.079428 169.9
[M-H]- 236.082934 165.9
[M+NH4]+ 255.124033 175.6
[M+K]+ 276.053368 164.6
[M+H-H2O]+ 220.087470 146.8
[M+HCOO]- 282.088411 181.9
[M+CH3COO]- 296.104061 206.9
[M+Na-2H]- 258.064876 164.7
[M]+ 237.08966142 153.2
[M]- 237.09075858 153.2
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.