CID 3247720

6-amino-3-methyl-5-nitroso-1,2,3,4-tetrahydropyrimidine-2,4-dione

Structural Information

Molecular Formula
C5H6N4O3
SMILES
CN1C(=O)C(=C(NC1=O)N)N=O
InChI
InChI=1S/C5H6N4O3/c1-9-4(10)2(8-12)3(6)7-5(9)11/h6H2,1H3,(H,7,11)
InChIKey
GUDXLMQIDACJSU-UHFFFAOYSA-N
Compound name
6-amino-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

99
Patents

170.04399 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.051266 129.6
[M+Na]+ 193.033208 141.4
[M-H]- 169.036714 131.8
[M+NH4]+ 188.077813 147.2
[M+K]+ 209.007148 139.3
[M+H-H2O]+ 153.041250 122.6
[M+HCOO]- 215.042191 155.4
[M+CH3COO]- 229.057841 182.6
[M+Na-2H]- 191.018656 136.6
[M]+ 170.04344142 130.2
[M]- 170.04453858 130.2
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

patents stripe