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]+ 199.08257 140.9
[M+Na]+ 221.06451 149.2
[M-H]- 197.06801 142.2
[M+NH4]+ 216.10911 157.3
[M+K]+ 237.03845 147.1
[M+H-H2O]+ 181.07255 133.8
[M+HCOO]- 243.07349 162.5
[M+CH3COO]- 257.08914 188.8
[M+Na-2H]- 219.04996 145.1
[M]+ 198.07474 138.3
[M]- 198.07584 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.