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 165.8
[M+Na]+ 326.09992 175.1
[M-H]- 302.10342 169.6
[M+NH4]+ 321.14452 181.0
[M+K]+ 342.07386 173.0
[M+H-H2O]+ 286.10796 158.2
[M+HCOO]- 348.10890 186.1
[M+CH3COO]- 362.12455 205.7
[M+Na-2H]- 324.08537 168.7
[M]+ 303.11015 172.7
[M]- 303.11125 172.8
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.