CID 2377195

4-(5-tert-butyl-2-methylbenzenesulfonamido)benzoic acid

Structural Information

Molecular Formula
C18H21NO4S
SMILES
CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C18H21NO4S/c1-12-5-8-14(18(2,3)4)11-16(12)24(22,23)19-15-9-6-13(7-10-15)17(20)21/h5-11,19H,1-4H3,(H,20,21)
InChIKey
ILODIABXYXEPMB-UHFFFAOYSA-N
Compound name
4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.11914 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.12642 181.5
[M+Na]+ 370.10836 192.3
[M+NH4]+ 365.15296 187.1
[M+K]+ 386.08230 186.1
[M-H]- 346.11186 183.2
[M+Na-2H]- 368.09381 187.5
[M]+ 347.11859 183.9
[M]- 347.11969 183.9
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.