CID 5278539

(3z)-3-[(4-fluorophenyl)methylene]-5-isobutyl-1-(methoxymethoxy)pyrazine-2,6-dione

Structural Information

Molecular Formula
C17H19FN2O4
SMILES
CC(C)CC1=N/C(=C\C2=CC=C(C=C2)F)/C(=O)N(C1=O)OCOC
InChI
InChI=1S/C17H19FN2O4/c1-11(2)8-14-16(21)20(24-10-23-3)17(22)15(19-14)9-12-4-6-13(18)7-5-12/h4-7,9,11H,8,10H2,1-3H3/b15-9-
InChIKey
OHMKLCYSFXRUPW-DHDCSXOGSA-N
Compound name
(3Z)-3-[(4-fluorophenyl)methylidene]-1-(methoxymethoxy)-5-(2-methylpropyl)pyrazine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.13287 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.14015 176.4
[M+Na]+ 357.12209 184.6
[M-H]- 333.12559 179.1
[M+NH4]+ 352.16669 187.6
[M+K]+ 373.09603 180.7
[M+H-H2O]+ 317.13013 166.2
[M+HCOO]- 379.13107 193.4
[M+CH3COO]- 393.14672 211.8
[M+Na-2H]- 355.10754 175.7
[M]+ 334.13232 178.5
[M]- 334.13342 178.5
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.