CID 3059399

76362-11-3

Structural Information

Molecular Formula
C21H22FNO3
SMILES
C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CC3COC4=CC=CC=C4O3
InChI
InChI=1S/C21H22FNO3/c22-17-7-5-15(6-8-17)21(24)16-9-11-23(12-10-16)13-18-14-25-19-3-1-2-4-20(19)26-18/h1-8,16,18H,9-14H2
InChIKey
FBKKIBLBUHEFEC-UHFFFAOYSA-N
Compound name
[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-(4-fluorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

355.1584 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.16568 185.4
[M+Na]+ 378.14762 189.3
[M-H]- 354.15112 192.8
[M+NH4]+ 373.19222 193.9
[M+K]+ 394.12156 186.5
[M+H-H2O]+ 338.15566 173.6
[M+HCOO]- 400.15660 196.5
[M+CH3COO]- 414.17225 193.5
[M+Na-2H]- 376.13307 187.0
[M]+ 355.15785 180.3
[M]- 355.15895 180.3
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