CID 5278543

5-benzyl-3-(4-methoxy-benzylidene)-1-methoxymethoxy-3h-pyrazine-2,6-dione

Structural Information

Molecular Formula
C21H20N2O5
SMILES
COCON1C(=O)C(=N/C(=C\C2=CC=C(C=C2)OC)/C1=O)CC3=CC=CC=C3
InChI
InChI=1S/C21H20N2O5/c1-26-14-28-23-20(24)18(12-15-6-4-3-5-7-15)22-19(21(23)25)13-16-8-10-17(27-2)11-9-16/h3-11,13H,12,14H2,1-2H3/b19-13-
InChIKey
AOVCIWOQTNDQKU-UYRXBGFRSA-N
Compound name
(5Z)-3-benzyl-1-(methoxymethoxy)-5-[(4-methoxyphenyl)methylidene]pyrazine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

380.1372 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.14448 190.1
[M+Na]+ 403.12642 197.5
[M-H]- 379.12992 197.0
[M+NH4]+ 398.17102 198.6
[M+K]+ 419.10036 192.9
[M+H-H2O]+ 363.13446 178.4
[M+HCOO]- 425.13540 209.1
[M+CH3COO]- 439.15105 218.4
[M+Na-2H]- 401.11187 191.4
[M]+ 380.13665 193.6
[M]- 380.13775 193.6
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.