CID 6478992

(3z)-3-benzylidene-5-(4-fluorobenzyl)-1-hydroxypyrazine-2,6(1h,3h)-dione

Structural Information

Molecular Formula
C18H13FN2O3
SMILES
C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)C(=N2)CC3=CC=C(C=C3)F)O
InChI
InChI=1S/C18H13FN2O3/c19-14-8-6-13(7-9-14)11-16-18(23)21(24)17(22)15(20-16)10-12-4-2-1-3-5-12/h1-10,24H,11H2/b15-10-
InChIKey
YQJQCTPGFVJVGT-GDNBJRDFSA-N
Compound name
(3Z)-3-benzylidene-5-[(4-fluorophenyl)methyl]-1-hydroxypyrazine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

324.09103 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.09831 175.0
[M+Na]+ 347.08025 184.0
[M-H]- 323.08375 179.8
[M+NH4]+ 342.12485 185.5
[M+K]+ 363.05419 177.1
[M+H-H2O]+ 307.08829 163.9
[M+HCOO]- 369.08923 192.2
[M+CH3COO]- 383.10488 205.5
[M+Na-2H]- 345.06570 176.7
[M]+ 324.09048 172.0
[M]- 324.09158 172.0
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.