CID 367349

Nsc636983

Structural Information

Molecular Formula
C19H12N2O8
SMILES
C1=CC(=CC=C1C(=O)O)NC(=O)C2C(=O)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C19H12N2O8/c22-14-13(15(23)20-11-5-1-9(2-6-11)18(26)27)16(24)21(17(14)25)12-7-3-10(4-8-12)19(28)29/h1-8,13H,(H,20,23)(H,26,27)(H,28,29)
InChIKey
DEEHAUJTGQGDTL-UHFFFAOYSA-N
Compound name
4-[[1-(4-carboxyphenyl)-2,4,5-trioxopyrrolidine-3-carbonyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.05936 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.06664 183.1
[M+Na]+ 419.04858 189.3
[M-H]- 395.05208 190.0
[M+NH4]+ 414.09318 192.0
[M+K]+ 435.02252 186.7
[M+H-H2O]+ 379.05662 174.9
[M+HCOO]- 441.05756 201.1
[M+CH3COO]- 455.07321 219.9
[M+Na-2H]- 417.03403 179.8
[M]+ 396.05881 183.2
[M]- 396.05991 183.2
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.