CID 154699600

Ns00117356

Structural Information

Molecular Formula
C19H15ClN2O5
SMILES
C1=CC2=C(C(=C1)O)NC(=O)C=C2CC(C(=O)O)NC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H15ClN2O5/c20-12-6-4-10(5-7-12)18(25)21-14(19(26)27)8-11-9-16(24)22-17-13(11)2-1-3-15(17)23/h1-7,9,14,23H,8H2,(H,21,25)(H,22,24)(H,26,27)
InChIKey
FVCVWZVCENZXPG-UHFFFAOYSA-N
Compound name
2-[(4-chlorobenzoyl)amino]-3-(8-hydroxy-2-oxo-1H-quinolin-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.06696 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.07424 183.1
[M+Na]+ 409.05618 190.2
[M-H]- 385.05968 185.8
[M+NH4]+ 404.10078 192.5
[M+K]+ 425.03012 184.2
[M+H-H2O]+ 369.06422 175.7
[M+HCOO]- 431.06516 194.8
[M+CH3COO]- 445.08081 214.8
[M+Na-2H]- 407.04163 184.8
[M]+ 386.06641 184.3
[M]- 386.06751 184.3
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.