CID 3034603

65201-24-3

Structural Information

Molecular Formula
C15H13FN2O
SMILES
C/C(=C\NC1=CN=CC=C1)/C(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C15H13FN2O/c1-11(9-18-14-3-2-8-17-10-14)15(19)12-4-6-13(16)7-5-12/h2-10,18H,1H3/b11-9+
InChIKey
LHWAOENBSGARJW-PKNBQFBNSA-N
Compound name
(E)-1-(4-fluorophenyl)-2-methyl-3-(pyridin-3-ylamino)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.1012 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.10848 158.6
[M+Na]+ 279.09042 171.1
[M+NH4]+ 274.13502 165.6
[M+K]+ 295.06436 164.0
[M-H]- 255.09392 161.1
[M+Na-2H]- 277.07587 166.9
[M]+ 256.10065 160.9
[M]- 256.10175 160.9
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.