CID 258011

4-(n,4-dimethylphenylsulfonamido)benzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
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

literature stripe

Patent stripe

patents stripe