CID 21847

Benzetimide

Structural Information

Molecular Formula
C23H26N2O2
SMILES
C1CN(CCC1C2(CCC(=O)NC2=O)C3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C23H26N2O2/c26-21-11-14-23(22(27)24-21,19-9-5-2-6-10-19)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,24,26,27)
InChIKey
LQQIVYSCPWCSSD-UHFFFAOYSA-N
Compound name
3-(1-benzylpiperidin-4-yl)-3-phenylpiperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

138
References

1355
Patents

362.19943 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.20671 191.5
[M+Na]+ 385.18865 194.2
[M-H]- 361.19215 198.1
[M+NH4]+ 380.23325 200.8
[M+K]+ 401.16259 187.3
[M+H-H2O]+ 345.19669 179.0
[M+HCOO]- 407.19763 203.1
[M+CH3COO]- 421.21328 198.1
[M+Na-2H]- 383.17410 191.6
[M]+ 362.19888 181.5
[M]- 362.19998 181.5
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.