CID 6478987

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

Structural Information

Molecular Formula
C15H16N2O3
SMILES
CC(C)CC1=N/C(=C\C2=CC=CC=C2)/C(=O)N(C1=O)O
InChI
InChI=1S/C15H16N2O3/c1-10(2)8-12-14(18)17(20)15(19)13(16-12)9-11-6-4-3-5-7-11/h3-7,9-10,20H,8H2,1-2H3/b13-9-
InChIKey
OEVFBJKHIRJEKW-LCYFTJDESA-N
Compound name
(3Z)-3-benzylidene-1-hydroxy-5-(2-methylpropyl)pyrazine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

272.1161 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.123376 162.5
[M+Na]+ 295.105318 170.4
[M-H]- 271.108824 165.3
[M+NH4]+ 290.149923 175.5
[M+K]+ 311.079258 165.9
[M+H-H2O]+ 255.113360 154.1
[M+HCOO]- 317.114301 179.7
[M+CH3COO]- 331.129951 197.3
[M+Na-2H]- 293.090766 163.7
[M]+ 272.11555142 161.3
[M]- 272.11664858 161.3
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.