CID 54691171

6-benzyl-7-hydroxy-8-phenyl-2,3-dihydro-1h-indolizin-5-one

Structural Information

Molecular Formula
C21H19NO2
SMILES
C1CC2=C(C(=C(C(=O)N2C1)CC3=CC=CC=C3)O)C4=CC=CC=C4
InChI
InChI=1S/C21H19NO2/c23-20-17(14-15-8-3-1-4-9-15)21(24)22-13-7-12-18(22)19(20)16-10-5-2-6-11-16/h1-6,8-11,23H,7,12-14H2
InChIKey
IIQJCDJTZBGECC-UHFFFAOYSA-N
Compound name
6-benzyl-7-hydroxy-8-phenyl-2,3-dihydro-1H-indolizin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.14157 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.14885 174.9
[M+Na]+ 340.13079 183.3
[M-H]- 316.13429 183.3
[M+NH4]+ 335.17539 189.8
[M+K]+ 356.10473 176.4
[M+H-H2O]+ 300.13883 165.8
[M+HCOO]- 362.13977 195.0
[M+CH3COO]- 376.15542 186.0
[M+Na-2H]- 338.11624 177.3
[M]+ 317.14102 174.1
[M]- 317.14212 174.1
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.