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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.09422 178.4
[M+Na]+ 360.07616 189.0
[M-H]- 336.07966 187.0
[M+NH4]+ 355.12076 193.7
[M+K]+ 376.05010 180.9
[M+H-H2O]+ 320.08420 170.0
[M+HCOO]- 382.08514 194.1
[M+CH3COO]- 396.10079 189.8
[M+Na-2H]- 358.06161 180.0
[M]+ 337.08639 180.1
[M]- 337.08749 180.1
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.