CID 16772466

N-[3-(aminomethyl)phenyl]benzamide hydrochloride

Structural Information

Molecular Formula
C14H14N2O
SMILES
C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)CN
InChI
InChI=1S/C14H14N2O/c15-10-11-5-4-8-13(9-11)16-14(17)12-6-2-1-3-7-12/h1-9H,10,15H2,(H,16,17)
InChIKey
XGIXEORXPRJHOC-UHFFFAOYSA-N
Compound name
N-[3-(aminomethyl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

226.11061 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.117886 150.5
[M+Na]+ 249.099828 156.4
[M-H]- 225.103334 156.7
[M+NH4]+ 244.144433 167.4
[M+K]+ 265.073768 152.5
[M+H-H2O]+ 209.107870 142.7
[M+HCOO]- 271.108811 175.8
[M+CH3COO]- 285.124461 193.8
[M+Na-2H]- 247.085276 156.4
[M]+ 226.11006142 147.6
[M]- 226.11115858 147.6
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

patents stripe