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

7
Patents

341.16272 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.17000 179.5
[M+Na]+ 364.15194 184.1
[M-H]- 340.15544 187.7
[M+NH4]+ 359.19654 190.2
[M+K]+ 380.12588 181.9
[M+H-H2O]+ 324.15998 170.4
[M+HCOO]- 386.16092 193.9
[M+CH3COO]- 400.17657 188.9
[M+Na-2H]- 362.13739 181.5
[M]+ 341.16217 178.5
[M]- 341.16327 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