CID 2390814

3,5-bis(4-ethoxybenzenesulfonamido)benzoic acid

Structural Information

Molecular Formula
C23H24N2O8S2
SMILES
CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC(=C2)C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)OCC
InChI
InChI=1S/C23H24N2O8S2/c1-3-32-19-5-9-21(10-6-19)34(28,29)24-17-13-16(23(26)27)14-18(15-17)25-35(30,31)22-11-7-20(8-12-22)33-4-2/h5-15,24-25H,3-4H2,1-2H3,(H,26,27)
InChIKey
TUULOZKOYXUBCT-UHFFFAOYSA-N
Compound name
3,5-bis[(4-ethoxyphenyl)sulfonylamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

520.0974 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.10468 217.2
[M+Na]+ 543.08662 220.6
[M-H]- 519.09012 223.9
[M+NH4]+ 538.13122 220.9
[M+K]+ 559.06056 215.6
[M+H-H2O]+ 503.09466 207.2
[M+HCOO]- 565.09560 227.6
[M+CH3COO]- 579.11125 240.5
[M+Na-2H]- 541.07207 221.7
[M]+ 520.09685 223.3
[M]- 520.09795 223.3
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.