CID 2427383

3-[methyl(4-methylphenyl)sulfamoyl]benzoic acid

Structural Information

Molecular Formula
C15H15NO4S
SMILES
CC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=CC(=C2)C(=O)O
InChI
InChI=1S/C15H15NO4S/c1-11-6-8-13(9-7-11)16(2)21(19,20)14-5-3-4-12(10-14)15(17)18/h3-10H,1-2H3,(H,17,18)
InChIKey
MRWUMIFMAAZEJD-UHFFFAOYSA-N
Compound name
3-[methyl-(4-methylphenyl)sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.07217 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.07945 166.5
[M+Na]+ 328.06139 173.7
[M-H]- 304.06489 173.7
[M+NH4]+ 323.10599 181.2
[M+K]+ 344.03533 170.7
[M+H-H2O]+ 288.06943 159.1
[M+HCOO]- 350.07037 184.1
[M+CH3COO]- 364.08602 204.0
[M+Na-2H]- 326.04684 169.3
[M]+ 305.07162 170.1
[M]- 305.07272 170.1
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.