CID 496063

Nsc677752

Structural Information

Molecular Formula
C19H23NO4
SMILES
C1CCC(=O)C(C1)C(CC2CC(=O)N(C(=O)C2)C3=CC=CC=C3)O
InChI
InChI=1S/C19H23NO4/c21-16-9-5-4-8-15(16)17(22)10-13-11-18(23)20(19(24)12-13)14-6-2-1-3-7-14/h1-3,6-7,13,15,17,22H,4-5,8-12H2
InChIKey
MYKWGWFKZSAUSU-UHFFFAOYSA-N
Compound name
4-[2-hydroxy-2-(2-oxocyclohexyl)ethyl]-1-phenylpiperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.16272 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.17000 178.0
[M+Na]+ 352.15194 180.9
[M-H]- 328.15544 183.4
[M+NH4]+ 347.19654 188.8
[M+K]+ 368.12588 176.7
[M+H-H2O]+ 312.15998 168.6
[M+HCOO]- 374.16092 190.7
[M+CH3COO]- 388.17657 207.1
[M+Na-2H]- 350.13739 175.6
[M]+ 329.16217 170.8
[M]- 329.16327 170.8
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.