CID 359832

Nsc621399

Structural Information

Molecular Formula
C21H27NO4
SMILES
CC1CC(C(C(=O)C1)C(CC2CC(=O)N(C(=O)C2)C3=CC=CC=C3)O)C
InChI
InChI=1S/C21H27NO4/c1-13-8-14(2)21(17(23)9-13)18(24)10-15-11-19(25)22(20(26)12-15)16-6-4-3-5-7-16/h3-7,13-15,18,21,24H,8-12H2,1-2H3
InChIKey
BQTZQFAWZXWIHI-UHFFFAOYSA-N
Compound name
4-[2-(2,4-dimethyl-6-oxocyclohexyl)-2-hydroxyethyl]-1-phenylpiperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.194 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.20128 186.3
[M+Na]+ 380.18322 190.2
[M-H]- 356.18672 192.2
[M+NH4]+ 375.22782 196.6
[M+K]+ 396.15716 185.7
[M+H-H2O]+ 340.19126 177.0
[M+HCOO]- 402.19220 198.3
[M+CH3COO]- 416.20785 215.7
[M+Na-2H]- 378.16867 181.6
[M]+ 357.19345 180.7
[M]- 357.19455 180.7
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.