CID 6478990

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

Structural Information

Molecular Formula
C19H16N2O4
SMILES
COC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)C(=N2)CC3=CC=CC=C3)O
InChI
InChI=1S/C19H16N2O4/c1-25-15-9-7-14(8-10-15)12-17-19(23)21(24)18(22)16(20-17)11-13-5-3-2-4-6-13/h2-10,12,24H,11H2,1H3/b17-12-
InChIKey
JMJSGGYOFKXGRZ-ATVHPVEESA-N
Compound name
(5Z)-3-benzyl-1-hydroxy-5-[(4-methoxyphenyl)methylidene]pyrazine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

336.111 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.11828 179.1
[M+Na]+ 359.10022 187.3
[M-H]- 335.10372 185.0
[M+NH4]+ 354.14482 188.9
[M+K]+ 375.07416 181.5
[M+H-H2O]+ 319.10826 168.5
[M+HCOO]- 381.10920 197.2
[M+CH3COO]- 395.12485 208.0
[M+Na-2H]- 357.08567 180.9
[M]+ 336.11045 178.8
[M]- 336.11155 178.8
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.