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]+ 283.16524 164.5
[M+Na]+ 305.14718 171.8
[M-H]- 281.15068 165.3
[M+NH4]+ 300.19178 178.3
[M+K]+ 321.12112 170.2
[M+H-H2O]+ 265.15522 157.1
[M+HCOO]- 327.15616 181.4
[M+CH3COO]- 341.17181 204.0
[M+Na-2H]- 303.13263 163.4
[M]+ 282.15741 168.5
[M]- 282.15851 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.