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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.12303 167.2
[M+Na]+ 322.10497 175.9
[M-H]- 298.10847 172.8
[M+NH4]+ 317.14957 183.4
[M+K]+ 338.07891 171.7
[M+H-H2O]+ 282.11301 159.8
[M+HCOO]- 344.11395 187.0
[M+CH3COO]- 358.12960 200.7
[M+Na-2H]- 320.09042 168.8
[M]+ 299.11520 169.3
[M]- 299.11630 169.3
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.