CID 3035062

3-(4-phenyl-3-piperidienyl)-1-(4-propionylphenoxy)propan-2-ol

Structural Information

Molecular Formula
C23H25NO3
SMILES
CCC(=O)C1=CC=C(C=C1)OCC(CC2CN=CC=C2C3=CC=CC=C3)O
InChI
InChI=1S/C23H25NO3/c1-2-23(26)18-8-10-21(11-9-18)27-16-20(25)14-19-15-24-13-12-22(19)17-6-4-3-5-7-17/h3-13,19-20,25H,2,14-16H2,1H3
InChIKey
JXFXKSDXMALIDC-UHFFFAOYSA-N
Compound name
1-[4-[2-hydroxy-3-(4-phenyl-2,3-dihydropyridin-3-yl)propoxy]phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.18344 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.19072 189.2
[M+Na]+ 386.17266 192.7
[M-H]- 362.17616 195.0
[M+NH4]+ 381.21726 198.5
[M+K]+ 402.14660 187.6
[M+H-H2O]+ 346.18070 178.5
[M+HCOO]- 408.18164 206.2
[M+CH3COO]- 422.19729 214.6
[M+Na-2H]- 384.15811 189.7
[M]+ 363.18289 188.8
[M]- 363.18399 188.8
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.