CID 496065

Nsc677754

Structural Information

Molecular Formula
C23H33NO4
SMILES
CC(C)(C)C1CCC(C(C1)C(CC2CC(=O)N(C(=O)C2)C3=CC=CC=C3)O)O
InChI
InChI=1S/C23H33NO4/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/h4-8,15-16,18-20,25-26H,9-14H2,1-3H3
InChIKey
MAYJEKMDSIJSLX-UHFFFAOYSA-N
Compound name
4-[2-(5-tert-butyl-2-hydroxycyclohexyl)-2-hydroxyethyl]-1-phenylpiperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.24097 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.24825 196.1
[M+Na]+ 410.23019 197.9
[M-H]- 386.23369 200.1
[M+NH4]+ 405.27479 204.5
[M+K]+ 426.20413 193.5
[M+H-H2O]+ 370.23823 187.3
[M+HCOO]- 432.23917 204.2
[M+CH3COO]- 446.25482 218.6
[M+Na-2H]- 408.21564 191.8
[M]+ 387.24042 189.1
[M]- 387.24152 189.1
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.