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]+ 238.09749 161.0
[M+Na]+ 260.07943 169.9
[M-H]- 236.08293 165.9
[M+NH4]+ 255.12403 175.6
[M+K]+ 276.05337 164.6
[M+H-H2O]+ 220.08747 146.8
[M+HCOO]- 282.08841 181.9
[M+CH3COO]- 296.10406 206.9
[M+Na-2H]- 258.06488 164.7
[M]+ 237.08966 153.2
[M]- 237.09076 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.