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]+ 350.21148 187.4
[M+Na]+ 372.19342 190.8
[M-H]- 348.19692 194.0
[M+NH4]+ 367.23802 198.0
[M+K]+ 388.16736 185.4
[M+H-H2O]+ 332.20146 176.3
[M+HCOO]- 394.20240 205.2
[M+CH3COO]- 408.21805 214.4
[M+Na-2H]- 370.17887 188.3
[M]+ 349.20365 186.5
[M]- 349.20475 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.