CID 359833

Nsc621400

Structural Information

Molecular Formula
C23H31NO4
SMILES
CC(C)(C)C1CCC(=O)C(C1)C(CC2CC(=O)N(C(=O)C2)C3=CC=CC=C3)O
InChI
InChI=1S/C23H31NO4/c1-23(2,3)16-9-10-19(25)18(14-16)20(26)11-15-12-21(27)24(22(28)13-15)17-7-5-4-6-8-17/h4-8,15-16,18,20,26H,9-14H2,1-3H3
InChIKey
YBQSJYTUHRZVPN-UHFFFAOYSA-N
Compound name
4-[2-(5-tert-butyl-2-oxocyclohexyl)-2-hydroxyethyl]-1-phenylpiperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.2253 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.23258 194.3
[M+Na]+ 408.21452 196.8
[M-H]- 384.21802 199.7
[M+NH4]+ 403.25912 203.4
[M+K]+ 424.18846 192.6
[M+H-H2O]+ 368.22256 185.3
[M+HCOO]- 430.22350 204.1
[M+CH3COO]- 444.23915 220.1
[M+Na-2H]- 406.19997 190.5
[M]+ 385.22475 188.4
[M]- 385.22585 188.4
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.