CID 54691176

Ethyl 6-benzyl-7-hydroxy-5-oxo-2,3-dihydro-1h-indolizine-8-carboxylate

Structural Information

Molecular Formula

C₁₈H₁₉NO₄

SMILES

CCOC(=O)C1=C2CCCN2C(=O)C(=C1O)CC3=CC=CC=C3

InChI

InChI=1S/C18H19NO4/c1-2-23-18(22)15-14-9-6-10-19(14)17(21)13(16(15)20)11-12-7-4-3-5-8-12/h3-5,7-8,20H,2,6,9-11H2,1H3

InChIKey

KXZOWLHRZVCZLH-UHFFFAOYSA-N

Compound name

ethyl 6-benzyl-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 313.1314 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	314.138676	171.9
[M+Na]+	336.120618	180.0
[M-H]-	312.124124	177.3
[M+NH4]+	331.165223	187.4
[M+K]+	352.094558	175.7
[M+H-H2O]+	296.128660	164.2
[M+HCOO]-	358.129601	191.3
[M+CH3COO]-	372.145251	203.7
[M+Na-2H]-	334.106066	172.9
[M]+	313.13085142	174.3
[M]-	313.13194858	174.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.