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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.13868 171.9
[M+Na]+ 336.12062 180.0
[M-H]- 312.12412 177.3
[M+NH4]+ 331.16522 187.4
[M+K]+ 352.09456 175.7
[M+H-H2O]+ 296.12866 164.2
[M+HCOO]- 358.12960 191.3
[M+CH3COO]- 372.14525 203.7
[M+Na-2H]- 334.10607 172.9
[M]+ 313.13085 174.3
[M]- 313.13195 174.3
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.