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]+ 336.09001 173.6
[M+Na]+ 358.07195 180.8
[M-H]- 334.07545 180.8
[M+NH4]+ 353.11655 187.1
[M+K]+ 374.04589 178.3
[M+H-H2O]+ 318.07999 165.9
[M+HCOO]- 380.08093 190.9
[M+CH3COO]- 394.09658 210.5
[M+Na-2H]- 356.05740 175.4
[M]+ 335.08218 179.2
[M]- 335.08328 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.