CID 6478858

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

Structural Information

Molecular Formula
C18H14FNO4
SMILES
CC1=NOC(=C1)/C(=C/C(=O)C2=CC=C(O2)CC3=CC=C(C=C3)F)/O
InChI
InChI=1S/C18H14FNO4/c1-11-8-18(24-20-11)16(22)10-15(21)17-7-6-14(23-17)9-12-2-4-13(19)5-3-12/h2-8,10,22H,9H2,1H3/b16-10-
InChIKey
LLEFHSNSMOWGOM-YBEGLDIGSA-N
Compound name
(Z)-1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-hydroxy-3-(3-methyl-1,2-oxazol-5-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.0907 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.09798 173.4
[M+Na]+ 350.07992 182.5
[M-H]- 326.08342 182.0
[M+NH4]+ 345.12452 186.1
[M+K]+ 366.05386 180.1
[M+H-H2O]+ 310.08796 165.6
[M+HCOO]- 372.08890 194.2
[M+CH3COO]- 386.10455 204.1
[M+Na-2H]- 348.06537 173.1
[M]+ 327.09015 177.4
[M]- 327.09125 177.4
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.