CID 3050236

Brn 1264286

Structural Information

Molecular Formula
C23H27NO2
SMILES
CCC(=O)C1=CC=C(C=C1)OCCCN2CCC(=CC2)C3=CC=CC=C3
InChI
InChI=1S/C23H27NO2/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/h3-5,7-13H,2,6,14-18H2,1H3
InChIKey
HFEXRGGRJJTUAS-UHFFFAOYSA-N
Compound name
1-[4-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.2042 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.211476 187.4
[M+Na]+ 372.193418 190.8
[M-H]- 348.196924 194.0
[M+NH4]+ 367.238023 198.0
[M+K]+ 388.167358 185.4
[M+H-H2O]+ 332.201460 176.3
[M+HCOO]- 394.202401 205.2
[M+CH3COO]- 408.218051 214.4
[M+Na-2H]- 370.178866 188.3
[M]+ 349.20365142 186.5
[M]- 349.20474858 186.5
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.