CID 54728576

Chembl513808

Structural Information

Molecular Formula
C20H19NO4
SMILES
CCOC(=O)C1=C(C2=C(C=CC(=C2)CC3=CC=CC=C3)N(C1=O)C)O
InChI
InChI=1S/C20H19NO4/c1-3-25-20(24)17-18(22)15-12-14(11-13-7-5-4-6-8-13)9-10-16(15)21(2)19(17)23/h4-10,12,22H,3,11H2,1-2H3
InChIKey
SSOBFBZDUXEEPZ-UHFFFAOYSA-N
Compound name
ethyl 6-benzyl-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

337.1314 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.13868 178.8
[M+Na]+ 360.12062 188.0
[M-H]- 336.12412 184.4
[M+NH4]+ 355.16522 191.6
[M+K]+ 376.09456 183.1
[M+H-H2O]+ 320.12866 169.7
[M+HCOO]- 382.12960 197.9
[M+CH3COO]- 396.14525 210.9
[M+Na-2H]- 358.10607 181.6
[M]+ 337.13085 182.8
[M]- 337.13195 182.8
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.