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]+ 294.09068 163.2
[M+Na]+ 316.07262 170.9
[M-H]- 292.07612 169.5
[M+NH4]+ 311.11722 177.7
[M+K]+ 332.04656 166.2
[M+H-H2O]+ 276.08066 155.4
[M+HCOO]- 338.08160 183.6
[M+CH3COO]- 352.09725 205.6
[M+Na-2H]- 314.05807 167.3
[M]+ 293.08285 163.4
[M]- 293.08395 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.