CID 157184

5,6-diamino-1-methyluracil

Structural Information

Molecular Formula
C5H8N4O2
SMILES
CN1C(=C(C(=O)NC1=O)N)N
InChI
InChI=1S/C5H8N4O2/c1-9-3(7)2(6)4(10)8-5(9)11/h6-7H2,1H3,(H,8,10,11)
InChIKey
PSIJQVXIJHUQPJ-UHFFFAOYSA-N
Compound name
5,6-diamino-1-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

137
Patents

156.06473 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.07201 128.8
[M+Na]+ 179.05395 140.0
[M+NH4]+ 174.09855 134.5
[M+K]+ 195.02789 136.6
[M-H]- 155.05745 128.9
[M+Na-2H]- 177.03940 133.2
[M]+ 156.06418 129.9
[M]- 156.06528 129.9
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