CID 2368838

5-[(2-methoxyphenyl)(methyl)sulfamoyl]-2-methylbenzoic acid

Structural Information

Molecular Formula
C16H17NO5S
SMILES
CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2OC)C(=O)O
InChI
InChI=1S/C16H17NO5S/c1-11-8-9-12(10-13(11)16(18)19)23(20,21)17(2)14-6-4-5-7-15(14)22-3/h4-10H,1-3H3,(H,18,19)
InChIKey
VFXOEAGOHDEMBF-UHFFFAOYSA-N
Compound name
5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

335.08273 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.090006 173.6
[M+Na]+ 358.071948 180.8
[M-H]- 334.075454 180.8
[M+NH4]+ 353.116553 187.1
[M+K]+ 374.045888 178.3
[M+H-H2O]+ 318.079990 165.9
[M+HCOO]- 380.080931 190.9
[M+CH3COO]- 394.096581 210.5
[M+Na-2H]- 356.057396 175.4
[M]+ 335.08218142 179.2
[M]- 335.08327858 179.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.