CID 54691175

Ethyl 7-hydroxy-5-oxo-6-phenyl-1,2,3-trihydroindolizine-8-carboxylate

Structural Information

Molecular Formula

C₁₇H₁₇NO₄

SMILES

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

InChI

InChI=1S/C17H17NO4/c1-2-22-17(21)14-12-9-6-10-18(12)16(20)13(15(14)19)11-7-4-3-5-8-11/h3-5,7-8,19H,2,6,9-10H2,1H3

InChIKey

UZCLBZGSOHWPAQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 299.11575 Da
Monoisotopic Mass: 2.3
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]+	300.123026	167.2
[M+Na]+	322.104968	175.9
[M-H]-	298.108474	172.8
[M+NH4]+	317.149573	183.4
[M+K]+	338.078908	171.7
[M+H-H2O]+	282.113010	159.8
[M+HCOO]-	344.113951	187.0
[M+CH3COO]-	358.129601	200.7
[M+Na-2H]-	320.090416	168.8
[M]+	299.11520142	169.3
[M]-	299.11629858	169.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.