CID 376278

Nsc656992

Structural Information

Molecular Formula
C7H10N4O3
SMILES
C1C(C(=O)NC(=O)N1CC=O)C(=N)N
InChI
InChI=1S/C7H10N4O3/c8-5(9)4-3-11(1-2-12)7(14)10-6(4)13/h2,4H,1,3H2,(H3,8,9)(H,10,13,14)
InChIKey
HYPFDPGVBLOTGP-UHFFFAOYSA-N
Compound name
2,4-dioxo-1-(2-oxoethyl)-1,3-diazinane-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.07529 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.082566 142.0
[M+Na]+ 221.064508 148.6
[M-H]- 197.068014 141.1
[M+NH4]+ 216.109113 156.9
[M+K]+ 237.038448 145.9
[M+H-H2O]+ 181.072550 134.9
[M+HCOO]- 243.073491 160.5
[M+CH3COO]- 257.089141 186.3
[M+Na-2H]- 219.049956 144.1
[M]+ 198.07474142 135.5
[M]- 198.07583858 135.5
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.