CID 54728578

6-benzyl-4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinoline-3-carboxylic acid

Structural Information

Molecular Formula
C18H15NO4
SMILES
CN1C2=C(C=C(C=C2)CC3=CC=CC=C3)C(=C(C1=O)C(=O)O)O
InChI
InChI=1S/C18H15NO4/c1-19-14-8-7-12(9-11-5-3-2-4-6-11)10-13(14)16(20)15(17(19)21)18(22)23/h2-8,10,20H,9H2,1H3,(H,22,23)
InChIKey
CFFYUFCTIFDMCG-UHFFFAOYSA-N
Compound name
6-benzyl-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.1001 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.10738 169.6
[M+Na]+ 332.08932 179.3
[M-H]- 308.09282 174.2
[M+NH4]+ 327.13392 182.9
[M+K]+ 348.06326 174.0
[M+H-H2O]+ 292.09736 161.3
[M+HCOO]- 354.09830 188.0
[M+CH3COO]- 368.11395 203.4
[M+Na-2H]- 330.07477 173.1
[M]+ 309.09955 171.3
[M]- 309.10065 171.3
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.