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
6
Annotation Hits

11
References

1898
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 177.2
[M+Na]+ 332.19848 179.4
[M-H]- 308.20198 183.5
[M+NH4]+ 327.24308 189.3
[M+K]+ 348.17242 174.6
[M+H-H2O]+ 292.20652 166.6
[M+HCOO]- 354.20746 194.0
[M+CH3COO]- 368.22311 206.5
[M+Na-2H]- 330.18393 178.9
[M]+ 309.20871 173.1
[M]- 309.20981 173.1
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.