CID 3050230

Brn 1597853

Structural Information

Molecular Formula
C23H29NO2
SMILES
CCC(=O)C1=CC=C(C=C1)OCCCN2CCC(CC2)C3=CC=CC=C3
InChI
InChI=1S/C23H29NO2/c1-2-23(25)21-9-11-22(12-10-21)26-18-6-15-24-16-13-20(14-17-24)19-7-4-3-5-8-19/h3-5,7-12,20H,2,6,13-18H2,1H3
InChIKey
WXKUJCFXYADAKF-UHFFFAOYSA-N
Compound name
1-[4-[3-(4-phenylpiperidin-1-yl)propoxy]phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.21982 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.227096 188.4
[M+Na]+ 374.209038 190.8
[M-H]- 350.212544 194.7
[M+NH4]+ 369.253643 198.9
[M+K]+ 390.182978 185.6
[M+H-H2O]+ 334.217080 177.4
[M+HCOO]- 396.218021 204.8
[M+CH3COO]- 410.233671 214.8
[M+Na-2H]- 372.194486 188.3
[M]+ 351.21927142 186.1
[M]- 351.22036858 186.1
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

No patent data available for this compound.