CID 835039

3-quinolinecarboxylic acid, 1,2-dihydro-4-hydroxy-1-methyl-2-oxo-, ethyl ester, 4-acetate

Structural Information

Molecular Formula
C15H15NO5
SMILES
CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)C)OC(=O)C
InChI
InChI=1S/C15H15NO5/c1-4-20-15(19)12-13(21-9(2)17)10-7-5-6-8-11(10)16(3)14(12)18/h5-8H,4H2,1-3H3
InChIKey
NWNJIHZOFPDYAH-UHFFFAOYSA-N
Compound name
ethyl 4-acetyloxy-1-methyl-2-oxoquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.09503 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.102306 161.0
[M+Na]+ 312.084248 170.8
[M-H]- 288.087754 165.0
[M+NH4]+ 307.128853 176.8
[M+K]+ 328.058188 168.9
[M+H-H2O]+ 272.092290 153.7
[M+HCOO]- 334.093231 181.7
[M+CH3COO]- 348.108881 202.7
[M+Na-2H]- 310.069696 164.5
[M]+ 289.09448142 167.7
[M]- 289.09557858 167.7
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.