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]+ 199.08257 142.0
[M+Na]+ 221.06451 148.6
[M-H]- 197.06801 141.1
[M+NH4]+ 216.10911 156.9
[M+K]+ 237.03845 145.9
[M+H-H2O]+ 181.07255 134.9
[M+HCOO]- 243.07349 160.5
[M+CH3COO]- 257.08914 186.3
[M+Na-2H]- 219.04996 144.1
[M]+ 198.07474 135.5
[M]- 198.07584 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.