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]+ 310.107376 169.6
[M+Na]+ 332.089318 179.3
[M-H]- 308.092824 174.2
[M+NH4]+ 327.133923 182.9
[M+K]+ 348.063258 174.0
[M+H-H2O]+ 292.097360 161.3
[M+HCOO]- 354.098301 188.0
[M+CH3COO]- 368.113951 203.4
[M+Na-2H]- 330.074766 173.1
[M]+ 309.09955142 171.3
[M]- 309.10064858 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.