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 174.2
[M+Na]+ 358.07195 185.5
[M+NH4]+ 353.11655 180.0
[M+K]+ 374.04589 179.6
[M-H]- 334.07545 176.4
[M+Na-2H]- 356.05740 180.6
[M]+ 335.08218 176.8
[M]- 335.08328 176.8
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.