CID 6478989

(3z)-1-hydroxy-5-isobutyl-3-(4-methoxybenzylidene)pyrazine-2,6(1h,3h)-dione

Structural Information

Molecular Formula
C16H18N2O4
SMILES
CC(C)CC1=N/C(=C\C2=CC=C(C=C2)OC)/C(=O)N(C1=O)O
InChI
InChI=1S/C16H18N2O4/c1-10(2)8-13-15(19)18(21)16(20)14(17-13)9-11-4-6-12(22-3)7-5-11/h4-7,9-10,21H,8H2,1-3H3/b14-9-
InChIKey
CGRCVQGWDNRJLU-ZROIWOOFSA-N
Compound name
(3Z)-1-hydroxy-3-[(4-methoxyphenyl)methylidene]-5-(2-methylpropyl)pyrazine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

302.12665 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.13393 169.5
[M+Na]+ 325.11587 177.7
[M-H]- 301.11937 172.5
[M+NH4]+ 320.16047 181.5
[M+K]+ 341.08981 173.6
[M+H-H2O]+ 285.12391 160.9
[M+HCOO]- 347.12485 186.5
[M+CH3COO]- 361.14050 203.8
[M+Na-2H]- 323.10132 169.5
[M]+ 302.12610 170.5
[M]- 302.12720 170.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.