CID 10831

Diperodon

Structural Information

Molecular Formula
C22H27N3O4
SMILES
C1CCN(CC1)CC(COC(=O)NC2=CC=CC=C2)OC(=O)NC3=CC=CC=C3
InChI
InChI=1S/C22H27N3O4/c26-21(23-18-10-4-1-5-11-18)28-17-20(16-25-14-8-3-9-15-25)29-22(27)24-19-12-6-2-7-13-19/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,23,26)(H,24,27)
InChIKey
YUGZHQHSNYIFLG-UHFFFAOYSA-N
Compound name
[2-(phenylcarbamoyloxy)-3-piperidin-1-ylpropyl] N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

30
References

1542
Patents

397.20016 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.20744 196.4
[M+Na]+ 420.18938 205.1
[M+NH4]+ 415.23398 201.5
[M+K]+ 436.16332 199.2
[M-H]- 396.19288 200.9
[M+Na-2H]- 418.17483 203.4
[M]+ 397.19961 198.4
[M]- 397.20071 198.4
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