CID 6478859

(z)-1-[5-[(4-fluorophenyl)methyl]-2-furyl]-3-hydroxy-3-(4-pyridyl)prop-2-en-1-one

Structural Information

Molecular Formula
C19H14FNO3
SMILES
C1=CC(=CC=C1CC2=CC=C(O2)C(=O)/C=C(/C3=CC=NC=C3)\O)F
InChI
InChI=1S/C19H14FNO3/c20-15-3-1-13(2-4-15)11-16-5-6-19(24-16)18(23)12-17(22)14-7-9-21-10-8-14/h1-10,12,22H,11H2/b17-12-
InChIKey
UGEMNVXXNWHYQM-ATVHPVEESA-N
Compound name
(Z)-1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-hydroxy-3-pyridin-4-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.09576 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.10304 174.2
[M+Na]+ 346.08498 181.2
[M-H]- 322.08848 180.8
[M+NH4]+ 341.12958 185.9
[M+K]+ 362.05892 176.7
[M+H-H2O]+ 306.09302 164.5
[M+HCOO]- 368.09396 193.2
[M+CH3COO]- 382.10961 203.6
[M+Na-2H]- 344.07043 175.1
[M]+ 323.09521 173.7
[M]- 323.09631 173.7
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.