CID 3049668

65116-58-7

Structural Information

Molecular Formula
C17H14N2O6S
SMILES
C1C(C(=O)N(C1=O)C2=C(C=C(C=C2)S(=O)(=O)N)C(=O)O)C3=CC=CC=C3
InChI
InChI=1S/C17H14N2O6S/c18-26(24,25)11-6-7-14(13(8-11)17(22)23)19-15(20)9-12(16(19)21)10-4-2-1-3-5-10/h1-8,12H,9H2,(H,22,23)(H2,18,24,25)
InChIKey
KVFFUBAIUAEERU-UHFFFAOYSA-N
Compound name
2-(2,5-dioxo-3-phenylpyrrolidin-1-yl)-5-sulfamoylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.05725 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.06453 183.3
[M+Na]+ 397.04647 191.2
[M-H]- 373.04997 190.9
[M+NH4]+ 392.09107 194.6
[M+K]+ 413.02041 186.6
[M+H-H2O]+ 357.05451 176.1
[M+HCOO]- 419.05545 197.9
[M+CH3COO]- 433.07110 212.7
[M+Na-2H]- 395.03192 182.0
[M]+ 374.05670 184.2
[M]- 374.05780 184.2
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.