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]+ 215.07748 139.3
[M+Na]+ 237.05942 150.3
[M-H]- 213.06292 142.1
[M+NH4]+ 232.10402 155.1
[M+K]+ 253.03336 144.4
[M+H-H2O]+ 197.06746 136.9
[M+HCOO]- 259.06840 164.7
[M+CH3COO]- 273.08405 185.0
[M+Na-2H]- 235.04487 147.2
[M]+ 214.06965 140.6
[M]- 214.07075 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