CID 4447642

2-[(4-chloro-3-sulfamoylphenyl)formamido]-2-phenylacetic acid

Structural Information

Molecular Formula
C15H13ClN2O5S
SMILES
C1=CC=C(C=C1)C(C(=O)O)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N
InChI
InChI=1S/C15H13ClN2O5S/c16-11-7-6-10(8-12(11)24(17,22)23)14(19)18-13(15(20)21)9-4-2-1-3-5-9/h1-8,13H,(H,18,19)(H,20,21)(H2,17,22,23)
InChIKey
UVKVPVNVXARBKK-UHFFFAOYSA-N
Compound name
2-[(4-chloro-3-sulfamoylbenzoyl)amino]-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.02338 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.03066 177.5
[M+Na]+ 391.01260 183.6
[M-H]- 367.01610 182.7
[M+NH4]+ 386.05720 189.0
[M+K]+ 406.98654 178.7
[M+H-H2O]+ 351.02064 171.2
[M+HCOO]- 413.02158 189.0
[M+CH3COO]- 427.03723 211.9
[M+Na-2H]- 388.99805 178.6
[M]+ 368.02283 179.9
[M]- 368.02393 179.9
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.