CID 81448

6-amino-1-methyl-5-nitrosouracil

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

129
Patents

170.04399 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.05127 129.6
[M+Na]+ 193.03321 141.4
[M-H]- 169.03671 131.8
[M+NH4]+ 188.07781 147.2
[M+K]+ 209.00715 139.3
[M+H-H2O]+ 153.04125 122.6
[M+HCOO]- 215.04219 155.4
[M+CH3COO]- 229.05784 182.6
[M+Na-2H]- 191.01866 136.6
[M]+ 170.04344 130.2
[M]- 170.04454 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