CID 6478848

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

Structural Information

Molecular Formula
C18H13FN2O3
SMILES
C1=CC(=CC=C1CC2=CC=C(O2)C(=O)/C=C(/C3=NC=CN=C3)\O)F
InChI
InChI=1S/C18H13FN2O3/c19-13-3-1-12(2-4-13)9-14-5-6-18(24-14)17(23)10-16(22)15-11-20-7-8-21-15/h1-8,10-11,22H,9H2/b16-10-
InChIKey
QTGCDRVWYGABCR-YBEGLDIGSA-N
Compound name
(Z)-1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-hydroxy-3-pyrazin-2-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.09103 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.09831 173.5
[M+Na]+ 347.08025 180.9
[M-H]- 323.08375 178.9
[M+NH4]+ 342.12485 183.8
[M+K]+ 363.05419 176.4
[M+H-H2O]+ 307.08829 163.0
[M+HCOO]- 369.08923 191.4
[M+CH3COO]- 383.10488 203.4
[M+Na-2H]- 345.06570 174.9
[M]+ 324.09048 173.2
[M]- 324.09158 173.2
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.