CID 3006920

Ethyl 1-ethyl-8-methyl-4-oxo-quinoline-3-carboxylate

Structural Information

Molecular Formula
C15H17NO3
SMILES
CCN1C=C(C(=O)C2=CC=CC(=C21)C)C(=O)OCC
InChI
InChI=1S/C15H17NO3/c1-4-16-9-12(15(18)19-5-2)14(17)11-8-6-7-10(3)13(11)16/h6-9H,4-5H2,1-3H3
InChIKey
ZPZJIWDJFBBDAZ-UHFFFAOYSA-N
Compound name
ethyl 1-ethyl-8-methyl-4-oxoquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

259.12085 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.12813 157.0
[M+Na]+ 282.11007 167.1
[M-H]- 258.11357 160.9
[M+NH4]+ 277.15467 174.3
[M+K]+ 298.08401 163.9
[M+H-H2O]+ 242.11811 149.8
[M+HCOO]- 304.11905 178.1
[M+CH3COO]- 318.13470 198.9
[M+Na-2H]- 280.09552 161.3
[M]+ 259.12030 162.1
[M]- 259.12140 162.1
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.