CID 458900

Schembl9997237

Structural Information

Molecular Formula
C15H14N2O6S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)C(=O)O)O
InChI
InChI=1S/C15H14N2O6S/c1-9(18)16-10-2-5-12(6-3-10)24(22,23)17-11-4-7-13(15(20)21)14(19)8-11/h2-8,17,19H,1H3,(H,16,18)(H,20,21)
InChIKey
VIFDZOAGYSUPRU-UHFFFAOYSA-N
Compound name
4-[(4-acetamidophenyl)sulfonylamino]-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

350.05725 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.06453 175.2
[M+Na]+ 373.04647 180.8
[M-H]- 349.04997 179.4
[M+NH4]+ 368.09107 186.0
[M+K]+ 389.02041 177.1
[M+H-H2O]+ 333.05451 167.5
[M+HCOO]- 395.05545 191.0
[M+CH3COO]- 409.07110 209.4
[M+Na-2H]- 371.03192 177.7
[M]+ 350.05670 176.5
[M]- 350.05780 176.5
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.