CID 54691172

7-hydroxy-6-benzyl-8-(4-chlorophenyl)-1,2,3-trihydroindolizin-5-one

Structural Information

Molecular Formula

C₂₀H₁₆ClNO₂

SMILES

C1CC2=C(C(=C(C(=O)N2C1)C3=CC=CC=C3)O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H16ClNO2/c21-15-10-8-14(9-11-15)17-16-7-4-12-22(16)20(24)18(19(17)23)13-5-2-1-3-6-13/h1-3,5-6,8-11,23H,4,7,12H2

InChIKey

VXUAQDNSVWBWPD-UHFFFAOYSA-N

Compound name

8-(4-chlorophenyl)-7-hydroxy-6-phenyl-2,3-dihydro-1H-indolizin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 337.08694 Da
Monoisotopic Mass: 3.6
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]+	338.094216	178.4
[M+Na]+	360.076158	189.0
[M-H]-	336.079664	187.0
[M+NH4]+	355.120763	193.7
[M+K]+	376.050098	180.9
[M+H-H2O]+	320.084200	170.0
[M+HCOO]-	382.085141	194.1
[M+CH3COO]-	396.100791	189.8
[M+Na-2H]-	358.061606	180.0
[M]+	337.08639142	180.1
[M]-	337.08748858	180.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.