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

1
Patents

262.0776 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.084876 156.3
[M+Na]+ 285.066818 163.5
[M-H]- 261.070324 162.6
[M+NH4]+ 280.111423 172.3
[M+K]+ 301.040758 158.5
[M+H-H2O]+ 245.074860 148.8
[M+HCOO]- 307.075801 176.4
[M+CH3COO]- 321.091451 196.1
[M+Na-2H]- 283.052266 161.9
[M]+ 262.07705142 156.0
[M]- 262.07814858 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

patents stripe