CID 5278544

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

Structural Information

Molecular Formula
C20H17FN2O4
SMILES
COCON1C(=O)C(=N/C(=C\C2=CC=C(C=C2)F)/C1=O)CC3=CC=CC=C3
InChI
InChI=1S/C20H17FN2O4/c1-26-13-27-23-19(24)17(11-14-5-3-2-4-6-14)22-18(20(23)25)12-15-7-9-16(21)10-8-15/h2-10,12H,11,13H2,1H3/b18-12-
InChIKey
ZBIAWDFXRSOYOU-PDGQHHTCSA-N
Compound name
(5Z)-3-benzyl-5-[(4-fluorophenyl)methylidene]-1-(methoxymethoxy)pyrazine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.11725 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.12453 186.4
[M+Na]+ 391.10647 194.6
[M-H]- 367.10997 192.0
[M+NH4]+ 386.15107 195.5
[M+K]+ 407.08041 188.9
[M+H-H2O]+ 351.11451 174.1
[M+HCOO]- 413.11545 204.5
[M+CH3COO]- 427.13110 215.9
[M+Na-2H]- 389.09192 187.4
[M]+ 368.11670 187.2
[M]- 368.11780 187.2
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.