CID 3392669

3,4-diamino-n-(2-methoxy-phenyl)-benzenesulfonamide

Structural Information

Molecular Formula
C13H15N3O3S
SMILES
COC1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)N)N
InChI
InChI=1S/C13H15N3O3S/c1-19-13-5-3-2-4-12(13)16-20(17,18)9-6-7-10(14)11(15)8-9/h2-8,16H,14-15H2,1H3
InChIKey
ADBXIRYZQXIXOA-UHFFFAOYSA-N
Compound name
3,4-diamino-N-(2-methoxyphenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

293.0834 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.09068 164.2
[M+Na]+ 316.07262 174.5
[M+NH4]+ 311.11722 170.8
[M+K]+ 332.04656 167.9
[M-H]- 292.07612 168.2
[M+Na-2H]- 314.05807 171.2
[M]+ 293.08285 167.0
[M]- 293.08395 167.0
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