CID 845683

Brn 0430556

Structural Information

Molecular Formula
C16H17NO5
SMILES
CCN1C2=CC=CC=C2C(=C(C1=O)C(=O)OCC)OC(=O)C
InChI
InChI=1S/C16H17NO5/c1-4-17-12-9-7-6-8-11(12)14(22-10(3)18)13(15(17)19)16(20)21-5-2/h6-9H,4-5H2,1-3H3
InChIKey
XOQIGRDTVKSAOG-UHFFFAOYSA-N
Compound name
ethyl 4-acetyloxy-1-ethyl-2-oxoquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1107 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.11798 167.2
[M+Na]+ 326.09992 180.0
[M+NH4]+ 321.14452 172.7
[M+K]+ 342.07386 174.8
[M-H]- 302.10342 167.2
[M+Na-2H]- 324.08537 171.0
[M]+ 303.11015 168.8
[M]- 303.11125 168.8
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.