CID 66235

4-aminotoluene-2-sulphonanilide

Structural Information

Molecular Formula
C13H14N2O2S
SMILES
CC1=C(C=C(C=C1)N)S(=O)(=O)NC2=CC=CC=C2
InChI
InChI=1S/C13H14N2O2S/c1-10-7-8-11(14)9-13(10)18(16,17)15-12-5-3-2-4-6-12/h2-9,15H,14H2,1H3
InChIKey
HCAKHJQTCPZXPR-UHFFFAOYSA-N
Compound name
5-amino-2-methyl-N-phenylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

144
Patents

262.0776 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.08488 156.5
[M+Na]+ 285.06682 164.6
[M-H]- 261.07032 163.3
[M+NH4]+ 280.11142 172.8
[M+K]+ 301.04076 159.6
[M+H-H2O]+ 245.07486 149.3
[M+HCOO]- 307.07580 176.6
[M+CH3COO]- 321.09145 197.3
[M+Na-2H]- 283.05227 161.5
[M]+ 262.07705 156.7
[M]- 262.07815 156.7
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