CID 96841

13992-53-5

Structural Information

Molecular Formula
C7H10N4O4
SMILES
CNC1=C(C(=O)N(C(=O)N1C)C)[N+](=O)[O-]
InChI
InChI=1S/C7H10N4O4/c1-8-5-4(11(14)15)6(12)10(3)7(13)9(5)2/h8H,1-3H3
InChIKey
YPENWWBLQQJRDL-UHFFFAOYSA-N
Compound name
1,3-dimethyl-6-(methylamino)-5-nitropyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

214.0702 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.077476 139.3
[M+Na]+ 237.059418 150.3
[M-H]- 213.062924 142.1
[M+NH4]+ 232.104023 155.1
[M+K]+ 253.033358 144.4
[M+H-H2O]+ 197.067460 136.9
[M+HCOO]- 259.068401 164.7
[M+CH3COO]- 273.084051 185.0
[M+Na-2H]- 235.044866 147.2
[M]+ 214.06965142 140.6
[M]- 214.07074858 140.6
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

patents stripe