CID 3733147

3,4-diamino-n-(4-methoxyphenyl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C13H15N3O3S
SMILES
COC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N)N
InChI
InChI=1S/C13H15N3O3S/c1-19-10-4-2-9(3-5-10)16-20(17,18)11-6-7-12(14)13(15)8-11/h2-8,16H,14-15H2,1H3
InChIKey
VLJRZEZDHGBSPU-UHFFFAOYSA-N
Compound name
3,4-diamino-N-(4-methoxyphenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.0834 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.090676 163.2
[M+Na]+ 316.072618 170.9
[M-H]- 292.076124 169.5
[M+NH4]+ 311.117223 177.7
[M+K]+ 332.046558 166.2
[M+H-H2O]+ 276.080660 155.4
[M+HCOO]- 338.081601 183.6
[M+CH3COO]- 352.097251 205.6
[M+Na-2H]- 314.058066 167.3
[M]+ 293.08285142 163.4
[M]- 293.08394858 163.4
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

No patent data available for this compound.