CID 3012006

(3r,4s)-3-(2,3-dihydro-1,4-benzodioxin-6-yloxymethyl)-4-(4-fluorophenyl)piperidine

Structural Information

Molecular Formula
C20H22FNO3
SMILES
C1CNC[C@@H]([C@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCCO4
InChI
InChI=1S/C20H22FNO3/c21-16-3-1-14(2-4-16)18-7-8-22-12-15(18)13-25-17-5-6-19-20(11-17)24-10-9-23-19/h1-6,11,15,18,22H,7-10,12-13H2/t15-,18-/m1/s1
InChIKey
YSMIRGYBAPNVQG-CRAIPNDOSA-N
Compound name
(3R,4S)-3-(2,3-dihydro-1,4-benzodioxin-6-yloxymethyl)-4-(4-fluorophenyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.1584 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.16568 181.5
[M+Na]+ 366.14762 185.5
[M-H]- 342.15112 187.6
[M+NH4]+ 361.19222 190.0
[M+K]+ 382.12156 182.1
[M+H-H2O]+ 326.15566 170.0
[M+HCOO]- 388.15660 192.3
[M+CH3COO]- 402.17225 189.5
[M+Na-2H]- 364.13307 184.4
[M]+ 343.15785 175.6
[M]- 343.15895 175.6
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.