CID 319996

6-amino-5-nitro-1,2-dihydropyrimidin-2-one

Structural Information

Molecular Formula
C4H4N4O3
SMILES
C1=NC(=O)NC(=C1[N+](=O)[O-])N
InChI
InChI=1S/C4H4N4O3/c5-3-2(8(10)11)1-6-4(9)7-3/h1H,(H3,5,6,7,9)
InChIKey
SPDBZGFVYQCVIU-UHFFFAOYSA-N
Compound name
6-amino-5-nitro-1H-pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

695
Patents

156.02834 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.03562 123.8
[M+Na]+ 179.01756 132.8
[M-H]- 155.02106 124.1
[M+NH4]+ 174.06216 140.2
[M+K]+ 194.99150 126.5
[M+H-H2O]+ 139.02560 121.6
[M+HCOO]- 201.02654 147.9
[M+CH3COO]- 215.04219 167.5
[M+Na-2H]- 177.00301 133.6
[M]+ 156.02779 119.4
[M]- 156.02889 119.4
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