CID 510722

4-[3-[(2-chlorobenzoyl)amino]phenyl]-2,4-dioxo-butanoic acid

Structural Information

Molecular Formula
C17H12ClNO5
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)C(=O)CC(=O)C(=O)O)Cl
InChI
InChI=1S/C17H12ClNO5/c18-13-7-2-1-6-12(13)16(22)19-11-5-3-4-10(8-11)14(20)9-15(21)17(23)24/h1-8H,9H2,(H,19,22)(H,23,24)
InChIKey
SWUKTKINSCRUQE-UHFFFAOYSA-N
Compound name
4-[3-[(2-chlorobenzoyl)amino]phenyl]-2,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.0404 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.04768 173.4
[M+Na]+ 368.02962 179.6
[M-H]- 344.03312 178.9
[M+NH4]+ 363.07422 185.8
[M+K]+ 384.00356 175.4
[M+H-H2O]+ 328.03766 166.6
[M+HCOO]- 390.03860 189.8
[M+CH3COO]- 404.05425 209.8
[M+Na-2H]- 366.01507 173.7
[M]+ 345.03985 176.1
[M]- 345.04095 176.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.