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]+ 282.18526 168.3
[M+Na]+ 304.16720 172.7
[M-H]- 280.17070 175.3
[M+NH4]+ 299.21180 182.0
[M+K]+ 320.14114 167.9
[M+H-H2O]+ 264.17524 158.2
[M+HCOO]- 326.17618 186.8
[M+CH3COO]- 340.19183 178.4
[M+Na-2H]- 302.15265 171.5
[M]+ 281.17743 164.6
[M]- 281.17853 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.