CID 12873625

71342-66-0

Structural Information

Molecular Formula
C7H10N4O3
SMILES
CCN1C(=N)/C(=N/OC)/C(=O)NC1=O
InChI
InChI=1S/C7H10N4O3/c1-3-11-5(8)4(10-14-2)6(12)9-7(11)13/h8H,3H2,1-2H3,(H,9,12,13)/b8-5?,10-4-
InChIKey
QHNYQVOBANAFAW-UOATXIDOSA-N
Compound name
(5Z)-1-ethyl-6-imino-5-methoxyimino-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

198.07529 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.082566 140.9
[M+Na]+ 221.064508 149.2
[M-H]- 197.068014 142.2
[M+NH4]+ 216.109113 157.3
[M+K]+ 237.038448 147.1
[M+H-H2O]+ 181.072550 133.8
[M+HCOO]- 243.073491 162.5
[M+CH3COO]- 257.089141 188.8
[M+Na-2H]- 219.049956 145.1
[M]+ 198.07474142 138.3
[M]- 198.07583858 138.3
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.