CID 54691169

7-hydroxy-2,2-dimethyl-6-phenyl-1,3-dihydroindolizin-5-one

Structural Information

Molecular Formula
C16H17NO2
SMILES
CC1(CC2=CC(=C(C(=O)N2C1)C3=CC=CC=C3)O)C
InChI
InChI=1S/C16H17NO2/c1-16(2)9-12-8-13(18)14(15(19)17(12)10-16)11-6-4-3-5-7-11/h3-8,18H,9-10H2,1-2H3
InChIKey
OPXWOAHXOWOACA-UHFFFAOYSA-N
Compound name
7-hydroxy-2,2-dimethyl-6-phenyl-1,3-dihydroindolizin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.12593 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.13321 157.1
[M+Na]+ 278.11515 167.8
[M-H]- 254.11865 163.2
[M+NH4]+ 273.15975 177.6
[M+K]+ 294.08909 162.7
[M+H-H2O]+ 238.12319 150.4
[M+HCOO]- 300.12413 177.9
[M+CH3COO]- 314.13978 170.2
[M+Na-2H]- 276.10060 161.4
[M]+ 255.12538 157.8
[M]- 255.12648 157.8
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.