CID 282742

32889-86-4

Structural Information

Molecular Formula
C18H16N2O4
SMILES
CCOC(=O)C1C(=O)CC2C3=NC4=CC=CC=C4C=C3CN2C1=O
InChI
InChI=1S/C18H16N2O4/c1-2-24-18(23)15-14(21)8-13-16-11(9-20(13)17(15)22)7-10-5-3-4-6-12(10)19-16/h3-7,13,15H,2,8-9H2,1H3
InChIKey
HMPKMPLZVHVHOX-UHFFFAOYSA-N
Compound name
ethyl 7,9-dioxo-6,11-dihydro-5bH-indolizino[1,2-b]quinoline-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.111 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.11828 173.9
[M+Na]+ 347.10022 182.6
[M-H]- 323.10372 177.3
[M+NH4]+ 342.14482 190.1
[M+K]+ 363.07416 177.9
[M+H-H2O]+ 307.10826 165.6
[M+HCOO]- 369.10920 188.5
[M+CH3COO]- 383.12485 184.3
[M+Na-2H]- 345.08567 176.0
[M]+ 324.11045 175.3
[M]- 324.11155 175.3
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.