CID 67638187

127017-74-7

Structural Information

Molecular Formula
C20H23NO4
SMILES
COC1=CC=C(C=C1)[C@@H]2CCNC[C@H]2COC3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C20H23NO4/c1-22-16-4-2-14(3-5-16)18-8-9-21-11-15(18)12-23-17-6-7-19-20(10-17)25-13-24-19/h2-7,10,15,18,21H,8-9,11-13H2,1H3/t15-,18-/m0/s1
InChIKey
QAQIPFPQZRXDMA-YJBOKZPZSA-N
Compound name
(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-methoxyphenyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

341.16272 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.169996 179.5
[M+Na]+ 364.151938 184.1
[M-H]- 340.155444 187.7
[M+NH4]+ 359.196543 190.2
[M+K]+ 380.125878 181.9
[M+H-H2O]+ 324.159980 170.4
[M+HCOO]- 386.160921 193.9
[M+CH3COO]- 400.176571 188.9
[M+Na-2H]- 362.137386 181.5
[M]+ 341.16217142 178.5
[M]- 341.16326858 178.5
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

patents stripe