CID 3041439

54088-13-0

Structural Information

Molecular Formula
C19H23NO
SMILES
CN1CC[C@H]([C@H](C1)COC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H23NO/c1-20-13-12-19(16-8-4-2-5-9-16)17(14-20)15-21-18-10-6-3-7-11-18/h2-11,17,19H,12-15H2,1H3/t17-,19+/m1/s1
InChIKey
UYQDHJMJLPIIFH-MJGOQNOKSA-N
Compound name
(3R,4R)-1-methyl-3-(phenoxymethyl)-4-phenylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.17798 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.185256 168.3
[M+Na]+ 304.167198 172.7
[M-H]- 280.170704 175.3
[M+NH4]+ 299.211803 182.0
[M+K]+ 320.141138 167.9
[M+H-H2O]+ 264.175240 158.2
[M+HCOO]- 326.176181 186.8
[M+CH3COO]- 340.191831 178.4
[M+Na-2H]- 302.152646 171.5
[M]+ 281.17743142 164.6
[M]- 281.17852858 164.6
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.