CID 288099

Mls002920754

Structural Information

Molecular Formula
C19H18N2O4
SMILES
CCOC(=O)C1(C(=O)CC2C3=NC4=CC=CC=C4C=C3CN2C1=O)C
InChI
InChI=1S/C19H18N2O4/c1-3-25-18(24)19(2)15(22)9-14-16-12(10-21(14)17(19)23)8-11-6-4-5-7-13(11)20-16/h4-8,14H,3,9-10H2,1-2H3
InChIKey
OFUJHSIUARGGNL-UHFFFAOYSA-N
Compound name
ethyl 8-methyl-7,9-dioxo-6,11-dihydro-5bH-indolizino[1,2-b]quinoline-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

338.12665 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.13393 178.6
[M+Na]+ 361.11587 188.1
[M-H]- 337.11937 182.2
[M+NH4]+ 356.16047 196.3
[M+K]+ 377.08981 183.3
[M+H-H2O]+ 321.12391 170.3
[M+HCOO]- 383.12485 192.9
[M+CH3COO]- 397.14050 189.0
[M+Na-2H]- 359.10132 181.3
[M]+ 338.12610 180.7
[M]- 338.12720 180.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.