CID 3064302

3-(diphenylmethoxymethyl)-1-ethylpiperidine hydrochloride

Structural Information

Molecular Formula
C21H27NO
SMILES
CCN1CCCC(C1)COC(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H27NO/c1-2-22-15-9-10-18(16-22)17-23-21(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-8,11-14,18,21H,2,9-10,15-17H2,1H3
InChIKey
KFADLSDOYZESSH-UHFFFAOYSA-N
Compound name
3-(benzhydryloxymethyl)-1-ethylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.20926 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.216536 177.2
[M+Na]+ 332.198478 179.4
[M-H]- 308.201984 183.5
[M+NH4]+ 327.243083 189.3
[M+K]+ 348.172418 174.6
[M+H-H2O]+ 292.206520 166.6
[M+HCOO]- 354.207461 194.0
[M+CH3COO]- 368.223111 206.5
[M+Na-2H]- 330.183926 178.9
[M]+ 309.20871142 173.1
[M]- 309.20980858 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

literature stripe

Patent stripe

No patent data available for this compound.