CID 3044228

4-amino-n-(4,5-dimethoxy-2-nitrophenyl)benzenesulfonamide

Structural Information

Molecular Formula
C14H15N3O6S
SMILES
COC1=C(C=C(C(=C1)NS(=O)(=O)C2=CC=C(C=C2)N)[N+](=O)[O-])OC
InChI
InChI=1S/C14H15N3O6S/c1-22-13-7-11(12(17(18)19)8-14(13)23-2)16-24(20,21)10-5-3-9(15)4-6-10/h3-8,16H,15H2,1-2H3
InChIKey
DQVYSKZAILWHMC-UHFFFAOYSA-N
Compound name
4-amino-N-(4,5-dimethoxy-2-nitrophenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.06815 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.07543 174.0
[M+Na]+ 376.05737 179.8
[M-H]- 352.06087 180.5
[M+NH4]+ 371.10197 185.1
[M+K]+ 392.03131 172.3
[M+H-H2O]+ 336.06541 169.8
[M+HCOO]- 398.06635 194.5
[M+CH3COO]- 412.08200 208.1
[M+Na-2H]- 374.04282 180.3
[M]+ 353.06760 175.7
[M]- 353.06870 175.7
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.