CID 5278537

(3z)-3-benzylidene-5-isobutyl-1-(methoxymethoxy)pyrazine-2,6-dione

Structural Information

Molecular Formula
C17H20N2O4
SMILES
CC(C)CC1=N/C(=C\C2=CC=CC=C2)/C(=O)N(C1=O)OCOC
InChI
InChI=1S/C17H20N2O4/c1-12(2)9-14-16(20)19(23-11-22-3)17(21)15(18-14)10-13-7-5-4-6-8-13/h4-8,10,12H,9,11H2,1-3H3/b15-10-
InChIKey
QGIKZOYSSKUPRP-GDNBJRDFSA-N
Compound name
(3Z)-3-benzylidene-1-(methoxymethoxy)-5-(2-methylpropyl)pyrazine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.1423 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.14958 173.5
[M+Na]+ 339.13152 180.7
[M-H]- 315.13502 177.3
[M+NH4]+ 334.17612 185.3
[M+K]+ 355.10546 177.3
[M+H-H2O]+ 299.13956 164.1
[M+HCOO]- 361.14050 191.7
[M+CH3COO]- 375.15615 207.8
[M+Na-2H]- 337.11697 174.2
[M]+ 316.14175 176.3
[M]- 316.14285 176.3
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.