CID 16774046

N-[2-(aminomethyl)phenyl]benzenesulfonamide

Structural Information

Molecular Formula
C13H14N2O2S
SMILES
C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2CN
InChI
InChI=1S/C13H14N2O2S/c14-10-11-6-4-5-9-13(11)15-18(16,17)12-7-2-1-3-8-12/h1-9,15H,10,14H2
InChIKey
YFWCAGTZNQFYEG-UHFFFAOYSA-N
Compound name
N-[2-(aminomethyl)phenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.0776 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.08488 156.3
[M+Na]+ 285.06682 163.5
[M-H]- 261.07032 162.6
[M+NH4]+ 280.11142 172.3
[M+K]+ 301.04076 158.5
[M+H-H2O]+ 245.07486 148.8
[M+HCOO]- 307.07580 176.4
[M+CH3COO]- 321.09145 196.1
[M+Na-2H]- 283.05227 161.9
[M]+ 262.07705 156.0
[M]- 262.07815 156.0
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.