CID 17608905

952946-68-8

Structural Information

Molecular Formula
C14H16N2O4S
SMILES
COC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N)OC
InChI
InChI=1S/C14H16N2O4S/c1-19-11-5-8-13(14(9-11)20-2)16-21(17,18)12-6-3-10(15)4-7-12/h3-9,16H,15H2,1-2H3
InChIKey
CYFNPWLREAHHLY-UHFFFAOYSA-N
Compound name
4-amino-N-(2,4-dimethoxyphenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

308.08307 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.09035 167.4
[M+Na]+ 331.07229 175.3
[M-H]- 307.07579 174.1
[M+NH4]+ 326.11689 181.8
[M+K]+ 347.04623 171.4
[M+H-H2O]+ 291.08033 159.5
[M+HCOO]- 353.08127 187.4
[M+CH3COO]- 367.09692 206.0
[M+Na-2H]- 329.05774 171.6
[M]+ 308.08252 171.0
[M]- 308.08362 171.0
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