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
2
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]+ 387.074236 183.1
[M+Na]+ 409.056178 190.2
[M-H]- 385.059684 185.8
[M+NH4]+ 404.100783 192.5
[M+K]+ 425.030118 184.2
[M+H-H2O]+ 369.064220 175.7
[M+HCOO]- 431.065161 194.8
[M+CH3COO]- 445.080811 214.8
[M+Na-2H]- 407.041626 184.8
[M]+ 386.06641142 184.3
[M]- 386.06750858 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.