CID 76726

5,6-diaminouracil

Structural Information

Molecular Formula
C4H6N4O2
SMILES
C1(=C(NC(=O)NC1=O)N)N
InChI
InChI=1S/C4H6N4O2/c5-1-2(6)7-4(10)8-3(1)9/h5H2,(H4,6,7,8,9,10)
InChIKey
BBTNLADSUVOPPN-UHFFFAOYSA-N
Compound name
5,6-diamino-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

13
References

7265
Patents

142.04907 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.05635 125.6
[M+Na]+ 165.03829 136.0
[M-H]- 141.04179 124.4
[M+NH4]+ 160.08289 142.5
[M+K]+ 181.01223 132.0
[M+H-H2O]+ 125.04633 119.3
[M+HCOO]- 187.04727 147.7
[M+CH3COO]- 201.06292 171.7
[M+Na-2H]- 163.02374 131.6
[M]+ 142.04852 120.1
[M]- 142.04962 120.1
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