CID 3049750

1-(4-fluorophenyl)-2-methyl-3-(2-pyridinylamino)-2-propen-1-one

Structural Information

Molecular Formula
C15H13FN2O
SMILES
C/C(=C\NC1=CC=CC=N1)/C(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C15H13FN2O/c1-11(10-18-14-4-2-3-9-17-14)15(19)12-5-7-13(16)8-6-12/h2-10H,1H3,(H,17,18)/b11-10+
InChIKey
SLNUFIFLBUCJNW-ZHACJKMWSA-N
Compound name
(E)-1-(4-fluorophenyl)-2-methyl-3-(pyridin-2-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

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.10848 157.3
[M+Na]+ 279.09042 163.7
[M-H]- 255.09392 161.1
[M+NH4]+ 274.13502 172.0
[M+K]+ 295.06436 159.1
[M+H-H2O]+ 239.09846 147.8
[M+HCOO]- 301.09940 178.6
[M+CH3COO]- 315.11505 197.7
[M+Na-2H]- 277.07587 161.6
[M]+ 256.10065 154.5
[M]- 256.10175 154.5
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.