CID 2375915

3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoic acid

Structural Information

Molecular Formula
C16H17NO5S
SMILES
CN(CC1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)OC
InChI
InChI=1S/C16H17NO5S/c1-17(11-12-6-4-3-5-7-12)23(20,21)15-10-13(16(18)19)8-9-14(15)22-2/h3-10H,11H2,1-2H3,(H,18,19)
InChIKey
XXWAFHJMVVRVLT-UHFFFAOYSA-N
Compound name
3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.08273 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.09001 174.2
[M+Na]+ 358.07195 180.6
[M-H]- 334.07545 181.0
[M+NH4]+ 353.11655 187.5
[M+K]+ 374.04589 178.0
[M+H-H2O]+ 318.07999 166.3
[M+HCOO]- 380.08093 191.6
[M+CH3COO]- 394.09658 209.2
[M+Na-2H]- 356.05740 176.7
[M]+ 335.08218 179.4
[M]- 335.08328 179.4
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.