CID 1188105

4-(5-tert-butyl-2,3-dimethylbenzenesulfonamido)benzoic acid

Structural Information

Molecular Formula
C19H23NO4S
SMILES
CC1=CC(=CC(=C1C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)O)C(C)(C)C
InChI
InChI=1S/C19H23NO4S/c1-12-10-15(19(3,4)5)11-17(13(12)2)25(23,24)20-16-8-6-14(7-9-16)18(21)22/h6-11,20H,1-5H3,(H,21,22)
InChIKey
OGLNQJYJSZKXKP-UHFFFAOYSA-N
Compound name
4-[(5-tert-butyl-2,3-dimethylphenyl)sulfonylamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

361.13477 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.14205 186.2
[M+Na]+ 384.12399 197.1
[M+NH4]+ 379.16859 191.6
[M+K]+ 400.09793 190.9
[M-H]- 360.12749 187.9
[M+Na-2H]- 382.10944 191.7
[M]+ 361.13422 188.7
[M]- 361.13532 188.7
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.