CID 3007407

108664-37-5

Structural Information

Molecular Formula
C14H11NO
SMILES
C=C(C1=CC=NC=C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H11NO/c1-11(12-7-9-15-10-8-12)14(16)13-5-3-2-4-6-13/h2-10H,1H2
InChIKey
LNKJTAXYOUBBSQ-UHFFFAOYSA-N
Compound name
1-phenyl-2-pyridin-4-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

209.08406 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.09134 145.5
[M+Na]+ 232.07328 152.1
[M-H]- 208.07678 150.5
[M+NH4]+ 227.11788 162.1
[M+K]+ 248.04722 148.3
[M+H-H2O]+ 192.08132 137.4
[M+HCOO]- 254.08226 167.1
[M+CH3COO]- 268.09791 186.7
[M+Na-2H]- 230.05873 151.3
[M]+ 209.08351 143.8
[M]- 209.08461 143.8
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.