CID 54685215

931398-72-0

Structural Information

Molecular Formula
C19H16N2O5
SMILES
C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O
InChI
InChI=1S/C19H16N2O5/c22-15(23)10-20-18(25)16-17(24)13-8-4-5-9-14(13)21(19(16)26)11-12-6-2-1-3-7-12/h1-9,24H,10-11H2,(H,20,25)(H,22,23)
InChIKey
CAOSCCRYLYQBES-UHFFFAOYSA-N
Compound name
2-[(1-benzyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

255
Patents

352.10593 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.11321 179.1
[M+Na]+ 375.09515 186.2
[M-H]- 351.09865 183.1
[M+NH4]+ 370.13975 189.6
[M+K]+ 391.06909 181.6
[M+H-H2O]+ 335.10319 170.1
[M+HCOO]- 397.10413 197.5
[M+CH3COO]- 411.11978 212.3
[M+Na-2H]- 373.08060 182.5
[M]+ 352.10538 180.0
[M]- 352.10648 180.0
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.