CID 510710

4-[3-[(2-cyanophenyl)sulfonylamino]phenyl]-2,4-dioxo-butanoic acid

Structural Information

Molecular Formula
C17H12N2O6S
SMILES
C1=CC=C(C(=C1)C#N)S(=O)(=O)NC2=CC=CC(=C2)C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C17H12N2O6S/c18-10-12-4-1-2-7-16(12)26(24,25)19-13-6-3-5-11(8-13)14(20)9-15(21)17(22)23/h1-8,19H,9H2,(H,22,23)
InChIKey
MUHJBQNUPTUBHM-UHFFFAOYSA-N
Compound name
4-[3-[(2-cyanophenyl)sulfonylamino]phenyl]-2,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.0416 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.04888 196.7
[M+Na]+ 395.03082 204.2
[M-H]- 371.03432 201.0
[M+NH4]+ 390.07542 205.8
[M+K]+ 411.00476 200.1
[M+H-H2O]+ 355.03886 182.4
[M+HCOO]- 417.03980 208.2
[M+CH3COO]- 431.05545 221.7
[M+Na-2H]- 393.01627 196.0
[M]+ 372.04105 193.8
[M]- 372.04215 193.8
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.