CID 6478988

(3z)-3-(4-fluorobenzylidene)-1-hydroxy-5-isobutylpyrazine-2,6(1h,3h)-dione

Structural Information

Molecular Formula
C15H15FN2O3
SMILES
CC(C)CC1=N/C(=C\C2=CC=C(C=C2)F)/C(=O)N(C1=O)O
InChI
InChI=1S/C15H15FN2O3/c1-9(2)7-12-14(19)18(21)15(20)13(17-12)8-10-3-5-11(16)6-4-10/h3-6,8-9,21H,7H2,1-2H3/b13-8-
InChIKey
RWESAIHPWZKTLT-JYRVWZFOSA-N
Compound name
(3Z)-3-[(4-fluorophenyl)methylidene]-1-hydroxy-5-(2-methylpropyl)pyrazine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

290.10666 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.11394 165.3
[M+Na]+ 313.09588 174.2
[M-H]- 289.09938 167.1
[M+NH4]+ 308.14048 177.8
[M+K]+ 329.06982 169.2
[M+H-H2O]+ 273.10392 156.1
[M+HCOO]- 335.10486 181.4
[M+CH3COO]- 349.12051 201.2
[M+Na-2H]- 311.08133 165.1
[M]+ 290.10611 163.4
[M]- 290.10721 163.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.