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]+ 273.12338 162.5
[M+Na]+ 295.10532 170.4
[M-H]- 271.10882 165.3
[M+NH4]+ 290.14992 175.5
[M+K]+ 311.07926 165.9
[M+H-H2O]+ 255.11336 154.1
[M+HCOO]- 317.11430 179.7
[M+CH3COO]- 331.12995 197.3
[M+Na-2H]- 293.09077 163.7
[M]+ 272.11555 161.3
[M]- 272.11665 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.