CID 3732002

2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoic acid

Structural Information

Molecular Formula
C14H13NO6S
SMILES
COC1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)O)C(=O)O
InChI
InChI=1S/C14H13NO6S/c1-21-13-5-3-2-4-11(13)15-22(19,20)9-6-7-12(16)10(8-9)14(17)18/h2-8,15-16H,1H3,(H,17,18)
InChIKey
HPDWZCQLNRBHLK-UHFFFAOYSA-N
Compound name
2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.04636 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.05364 168.3
[M+Na]+ 346.03558 175.5
[M-H]- 322.03908 172.8
[M+NH4]+ 341.08018 180.8
[M+K]+ 362.00952 171.8
[M+H-H2O]+ 306.04362 161.1
[M+HCOO]- 368.04456 184.5
[M+CH3COO]- 382.06021 201.4
[M+Na-2H]- 344.02103 171.6
[M]+ 323.04581 171.5
[M]- 323.04691 171.5
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.