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]+ 278.15395 165.9
[M+Na]+ 300.13589 171.3
[M-H]- 276.13939 173.4
[M+NH4]+ 295.18049 179.7
[M+K]+ 316.10983 166.2
[M+H-H2O]+ 260.14393 156.1
[M+HCOO]- 322.14487 185.0
[M+CH3COO]- 336.16052 176.5
[M+Na-2H]- 298.12134 169.0
[M]+ 277.14612 162.3
[M]- 277.14722 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.