CID 5278538

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

Structural Information

Molecular Formula
C18H22N2O5
SMILES
CC(C)CC1=N/C(=C\C2=CC=C(C=C2)OC)/C(=O)N(C1=O)OCOC
InChI
InChI=1S/C18H22N2O5/c1-12(2)9-15-17(21)20(25-11-23-3)18(22)16(19-15)10-13-5-7-14(24-4)8-6-13/h5-8,10,12H,9,11H2,1-4H3/b16-10-
InChIKey
VHEKSGBQMVYECB-YBEGLDIGSA-N
Compound name
(3Z)-1-(methoxymethoxy)-3-[(4-methoxyphenyl)methylidene]-5-(2-methylpropyl)pyrazine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.15286 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.16014 180.2
[M+Na]+ 369.14208 187.7
[M-H]- 345.14558 184.2
[M+NH4]+ 364.18668 191.0
[M+K]+ 385.11602 184.8
[M+H-H2O]+ 329.15012 170.7
[M+HCOO]- 391.15106 198.2
[M+CH3COO]- 405.16671 214.3
[M+Na-2H]- 367.12753 179.9
[M]+ 346.15231 185.2
[M]- 346.15341 185.2
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.