CID 3805067

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
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

No literature data available for this compound.

Patent stripe

patents stripe