CID 47003040

6-amino-1-ethyl-5-(ethylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione

Structural Information

Molecular Formula
C8H14N4O2
SMILES
CCNC1=C(N(C(=O)NC1=O)CC)N
InChI
InChI=1S/C8H14N4O2/c1-3-10-5-6(9)12(4-2)8(14)11-7(5)13/h10H,3-4,9H2,1-2H3,(H,11,13,14)
InChIKey
YHHAZWRUFLWOJE-UHFFFAOYSA-N
Compound name
6-amino-1-ethyl-5-(ethylamino)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.11168 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.118956 142.6
[M+Na]+ 221.100898 152.6
[M-H]- 197.104404 142.9
[M+NH4]+ 216.145503 158.6
[M+K]+ 237.074838 149.0
[M+H-H2O]+ 181.108940 135.5
[M+HCOO]- 243.109881 165.5
[M+CH3COO]- 257.125531 188.0
[M+Na-2H]- 219.086346 147.4
[M]+ 198.11113142 141.8
[M]- 198.11222858 141.8
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

No patent data available for this compound.