CID 386088

Nsc677678

Structural Information

Molecular Formula
C21H23NO4
SMILES
C1C(CC(=O)NC1=O)C(COCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C21H23NO4/c23-20-11-18(12-21(24)22-20)19(26-14-17-9-5-2-6-10-17)15-25-13-16-7-3-1-4-8-16/h1-10,18-19H,11-15H2,(H,22,23,24)
InChIKey
GNUPHLQTBKINMV-UHFFFAOYSA-N
Compound name
4-[1,2-bis(phenylmethoxy)ethyl]piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.16272 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.17000 184.2
[M+Na]+ 376.15194 187.0
[M-H]- 352.15544 189.6
[M+NH4]+ 371.19654 193.6
[M+K]+ 392.12588 182.2
[M+H-H2O]+ 336.15998 173.6
[M+HCOO]- 398.16092 200.4
[M+CH3COO]- 412.17657 210.0
[M+Na-2H]- 374.13739 185.0
[M]+ 353.16217 181.6
[M]- 353.16327 181.6
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.