CID 6478994

(5z)-3-isobutyl-1-(methoxymethoxy)-5-(2-methylpropylidene)pyrazine-2,6-dione

Structural Information

Molecular Formula
C14H22N2O4
SMILES
CC(C)CC1=N/C(=C\C(C)C)/C(=O)N(C1=O)OCOC
InChI
InChI=1S/C14H22N2O4/c1-9(2)6-11-13(17)16(20-8-19-5)14(18)12(15-11)7-10(3)4/h6,9-10H,7-8H2,1-5H3/b11-6-
InChIKey
SPNZLGIPSZGSEQ-WDZFZDKYSA-N
Compound name
(5Z)-1-(methoxymethoxy)-3-(2-methylpropyl)-5-(2-methylpropylidene)pyrazine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

282.15796 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.165236 164.5
[M+Na]+ 305.147178 171.8
[M-H]- 281.150684 165.3
[M+NH4]+ 300.191783 178.3
[M+K]+ 321.121118 170.2
[M+H-H2O]+ 265.155220 157.1
[M+HCOO]- 327.156161 181.4
[M+CH3COO]- 341.171811 204.0
[M+Na-2H]- 303.132626 163.4
[M]+ 282.15741142 168.5
[M]- 282.15850858 168.5
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.