CID 59359

102489-44-1

Structural Information

Molecular Formula
C19H19NO
SMILES
CC(=O)C1=CC=C(C=C1)N2CCC(=CC2)C3=CC=CC=C3
InChI
InChI=1S/C19H19NO/c1-15(21)16-7-9-19(10-8-16)20-13-11-18(12-14-20)17-5-3-2-4-6-17/h2-11H,12-14H2,1H3
InChIKey
FZUDWKDGMVBWFD-UHFFFAOYSA-N
Compound name
1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.14667 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.153946 165.9
[M+Na]+ 300.135888 171.3
[M-H]- 276.139394 173.4
[M+NH4]+ 295.180493 179.7
[M+K]+ 316.109828 166.2
[M+H-H2O]+ 260.143930 156.1
[M+HCOO]- 322.144871 185.0
[M+CH3COO]- 336.160521 176.5
[M+Na-2H]- 298.121336 169.0
[M]+ 277.14612142 162.3
[M]- 277.14721858 162.3
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

No patent data available for this compound.