CID 21916360

5,6-diamino-1-ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

Structural Information

Molecular Formula
C6H10N4O2
SMILES
CCN1C(=C(C(=O)NC1=O)N)N
InChI
InChI=1S/C6H10N4O2/c1-2-10-4(8)3(7)5(11)9-6(10)12/h2,7-8H2,1H3,(H,9,11,12)
InChIKey
HEXZSEOAILCDMD-UHFFFAOYSA-N
Compound name
5,6-diamino-1-ethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

170.08037 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.087646 134.2
[M+Na]+ 193.069588 145.1
[M-H]- 169.073094 134.4
[M+NH4]+ 188.114193 151.1
[M+K]+ 209.043528 141.6
[M+H-H2O]+ 153.077630 127.5
[M+HCOO]- 215.078571 157.1
[M+CH3COO]- 229.094221 181.3
[M+Na-2H]- 191.055036 139.0
[M]+ 170.07982142 131.7
[M]- 170.08091858 131.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe