CID 16227690

3-{[(4-chlorophenyl)methyl](2-ethoxyphenyl)sulfamoyl}benzoic acid

Structural Information

Molecular Formula
C22H20ClNO5S
SMILES
CCOC1=CC=CC=C1N(CC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC(=C3)C(=O)O
InChI
InChI=1S/C22H20ClNO5S/c1-2-29-21-9-4-3-8-20(21)24(15-16-10-12-18(23)13-11-16)30(27,28)19-7-5-6-17(14-19)22(25)26/h3-14H,2,15H2,1H3,(H,25,26)
InChIKey
XBXRSIOIXLTJKQ-UHFFFAOYSA-N
Compound name
3-[(4-chlorophenyl)methyl-(2-ethoxyphenyl)sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

445.07507 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.08235 200.9
[M+Na]+ 468.06429 214.7
[M+NH4]+ 463.10889 207.2
[M+K]+ 484.03823 206.0
[M-H]- 444.06779 205.9
[M+Na-2H]- 466.04974 210.2
[M]+ 445.07452 205.1
[M]- 445.07562 205.1
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

patents stripe