CID 486541

Nsc621393

Structural Information

Molecular Formula
C22H31NO4
SMILES
C[C@H]1C[C@@H]([C@@H](C(C1)C(CC2CC(=O)N(C(=O)C2)CC3=CC=CC=C3)O)O)C
InChI
InChI=1S/C22H31NO4/c1-14-8-15(2)22(27)18(9-14)19(24)10-17-11-20(25)23(21(26)12-17)13-16-6-4-3-5-7-16/h3-7,14-15,17-19,22,24,27H,8-13H2,1-2H3/t14-,15-,18?,19?,22-/m0/s1
InChIKey
QGEQAZFXCIABEB-MSAZHVRISA-N
Compound name
1-benzyl-4-[2-hydroxy-2-[(2S,3S,5S)-2-hydroxy-3,5-dimethylcyclohexyl]ethyl]piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.2253 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.23258 192.6
[M+Na]+ 396.21452 195.3
[M-H]- 372.21802 196.8
[M+NH4]+ 391.25912 201.6
[M+K]+ 412.18846 190.4
[M+H-H2O]+ 356.22256 183.4
[M+HCOO]- 418.22350 202.5
[M+CH3COO]- 432.23915 217.1
[M+Na-2H]- 394.19997 186.8
[M]+ 373.22475 186.2
[M]- 373.22585 186.2
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.