CID 6479292

(3z)-3-[(4-fluorophenyl)methylene]-5-isobutyl-pyrazine-2,6-dione

Structural Information

Molecular Formula
C15H15FN2O2
SMILES
CC(C)CC1=N/C(=C\C2=CC=C(C=C2)F)/C(=O)NC1=O
InChI
InChI=1S/C15H15FN2O2/c1-9(2)7-12-14(19)18-15(20)13(17-12)8-10-3-5-11(16)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,18,19,20)/b13-8-
InChIKey
AYEVZXDORFCQSD-JYRVWZFOSA-N
Compound name
(3Z)-3-[(4-fluorophenyl)methylidene]-5-(2-methylpropyl)pyrazine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

274.11176 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.11904 162.6
[M+Na]+ 297.10098 170.7
[M-H]- 273.10448 164.0
[M+NH4]+ 292.14558 175.6
[M+K]+ 313.07492 165.0
[M+H-H2O]+ 257.10902 153.3
[M+HCOO]- 319.10996 178.5
[M+CH3COO]- 333.12561 197.8
[M+Na-2H]- 295.08643 163.1
[M]+ 274.11121 158.9
[M]- 274.11231 158.9
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.