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

7
Patents

278.0725 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.07978 159.8
[M+Na]+ 301.06172 167.6
[M-H]- 277.06522 166.4
[M+NH4]+ 296.10632 175.3
[M+K]+ 317.03566 163.2
[M+H-H2O]+ 261.06976 152.2
[M+HCOO]- 323.07070 180.0
[M+CH3COO]- 337.08635 199.5
[M+Na-2H]- 299.04717 164.9
[M]+ 278.07195 161.3
[M]- 278.07305 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