CID 494391

Nsc621392

Structural Information

Molecular Formula
C20H27NO4
SMILES
C1CCC(C(C1)C(CC2CC(=O)N(C(=O)C2)CC3=CC=CC=C3)O)O
InChI
InChI=1S/C20H27NO4/c22-17-9-5-4-8-16(17)18(23)10-15-11-19(24)21(20(25)12-15)13-14-6-2-1-3-7-14/h1-3,6-7,15-18,22-23H,4-5,8-13H2
InChIKey
UBXPBIRQRWKPMB-UHFFFAOYSA-N
Compound name
1-benzyl-4-[2-hydroxy-2-(2-hydroxycyclohexyl)ethyl]piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.194 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.20128 183.9
[M+Na]+ 368.18322 185.6
[M-H]- 344.18672 187.8
[M+NH4]+ 363.22782 193.5
[M+K]+ 384.15716 181.0
[M+H-H2O]+ 328.19126 174.5
[M+HCOO]- 390.19220 194.6
[M+CH3COO]- 404.20785 208.5
[M+Na-2H]- 366.16867 180.6
[M]+ 345.19345 175.9
[M]- 345.19455 175.9
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.