CID 359830

Nsc621397

Structural Information

Molecular Formula

C₂₀H₂₅NO₄

SMILES

CC1CCCC(C1=O)C(CC2CC(=O)N(C(=O)C2)C3=CC=CC=C3)O

InChI

InChI=1S/C20H25NO4/c1-13-6-5-9-16(20(13)25)17(22)10-14-11-18(23)21(19(24)12-14)15-7-3-2-4-8-15/h2-4,7-8,13-14,16-17,22H,5-6,9-12H2,1H3

InChIKey

RCZRBUNYNIOSQE-UHFFFAOYSA-N

Compound name

4-[2-hydroxy-2-(3-methyl-2-oxocyclohexyl)ethyl]-1-phenylpiperidine-2,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 343.17834 Da
Monoisotopic Mass: 2.6
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]+	344.185616	182.2
[M+Na]+	366.167558	185.6
[M-H]-	342.171064	187.9
[M+NH4]+	361.212163	192.8
[M+K]+	382.141498	181.3
[M+H-H2O]+	326.175600	172.9
[M+HCOO]-	388.176541	194.6
[M+CH3COO]-	402.192191	211.4
[M+Na-2H]-	364.153006	178.6
[M]+	343.17779142	175.8
[M]-	343.17888858	175.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.