CID 2326

Benproperine

Structural Information

Molecular Formula
C21H27NO
SMILES
CC(COC1=CC=CC=C1CC2=CC=CC=C2)N3CCCCC3
InChI
InChI=1S/C21H27NO/c1-18(22-14-8-3-9-15-22)17-23-21-13-7-6-12-20(21)16-19-10-4-2-5-11-19/h2,4-7,10-13,18H,3,8-9,14-17H2,1H3
InChIKey
JTUQXGZRVLWBCR-UHFFFAOYSA-N
Compound name
1-[1-(2-benzylphenoxy)propan-2-yl]piperidine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

11
References

1729
Patents

309.20926 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.21654 178.7
[M+Na]+ 332.19848 192.8
[M+NH4]+ 327.24308 187.8
[M+K]+ 348.17242 183.2
[M-H]- 308.20198 185.4
[M+Na-2H]- 330.18393 188.6
[M]+ 309.20871 182.8
[M]- 309.20981 182.8
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