CID 579335

4-amino-n-(2-methoxyphenyl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C13H14N2O3S
SMILES
COC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C13H14N2O3S/c1-18-13-5-3-2-4-12(13)15-19(16,17)11-8-6-10(14)7-9-11/h2-9,15H,14H2,1H3
InChIKey
XBXWZQQQBVBPAC-UHFFFAOYSA-N
Compound name
4-amino-N-(2-methoxyphenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

22
Patents

278.0725 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.079776 159.8
[M+Na]+ 301.061718 167.6
[M-H]- 277.065224 166.4
[M+NH4]+ 296.106323 175.3
[M+K]+ 317.035658 163.2
[M+H-H2O]+ 261.069760 152.2
[M+HCOO]- 323.070701 180.0
[M+CH3COO]- 337.086351 199.5
[M+Na-2H]- 299.047166 164.9
[M]+ 278.07195142 161.3
[M]- 278.07304858 161.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe