CID 3059405

(1-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-4-piperidinyl)phenylmethanone hydrochloride

Structural Information

Molecular Formula
C21H23NO3
SMILES
C1CN(CCC1C(=O)C2=CC=CC=C2)CC3COC4=CC=CC=C4O3
InChI
InChI=1S/C21H23NO3/c23-21(16-6-2-1-3-7-16)17-10-12-22(13-11-17)14-18-15-24-19-8-4-5-9-20(19)25-18/h1-9,17-18H,10-15H2
InChIKey
WBKPUGWXKPXIEN-UHFFFAOYSA-N
Compound name
[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

337.1678 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.175076 180.8
[M+Na]+ 360.157018 183.7
[M-H]- 336.160524 189.1
[M+NH4]+ 355.201623 189.8
[M+K]+ 376.130958 181.4
[M+H-H2O]+ 320.165060 169.8
[M+HCOO]- 382.166001 193.0
[M+CH3COO]- 396.181651 189.2
[M+Na-2H]- 358.142466 183.8
[M]+ 337.16725142 176.2
[M]- 337.16834858 176.2
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