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

1372
Patents

362.19943 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.206706 191.5
[M+Na]+ 385.188648 194.2
[M-H]- 361.192154 198.1
[M+NH4]+ 380.233253 200.8
[M+K]+ 401.162588 187.3
[M+H-H2O]+ 345.196690 179.0
[M+HCOO]- 407.197631 203.1
[M+CH3COO]- 421.213281 198.1
[M+Na-2H]- 383.174096 191.6
[M]+ 362.19888142 181.5
[M]- 362.19997858 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

literature stripe

Patent stripe

patents stripe