CID 3308927

4-[4-(1-hydroxyethyl)benzenesulfonamido]benzoic acid

Structural Information

Molecular Formula

C₁₅H₁₅NO₅S

SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)O)O

InChI

InChI=1S/C15H15NO5S/c1-10(17)11-4-8-14(9-5-11)22(20,21)16-13-6-2-12(3-7-13)15(18)19/h2-10,16-17H,1H3,(H,18,19)

InChIKey

UEQADXFKBJNFCS-UHFFFAOYSA-N

Compound name

4-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 321.0671 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	322.074376	169.7
[M+Na]+	344.056318	175.6
[M-H]-	320.059824	173.8
[M+NH4]+	339.100923	182.0
[M+K]+	360.030258	171.5
[M+H-H2O]+	304.064360	162.5
[M+HCOO]-	366.065301	184.4
[M+CH3COO]-	380.080951	201.7
[M+Na-2H]-	342.041766	171.8
[M]+	321.06655142	170.9
[M]-	321.06764858	170.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.