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]+ 199.11896 142.6
[M+Na]+ 221.10090 152.6
[M-H]- 197.10440 142.9
[M+NH4]+ 216.14550 158.6
[M+K]+ 237.07484 149.0
[M+H-H2O]+ 181.10894 135.5
[M+HCOO]- 243.10988 165.5
[M+CH3COO]- 257.12553 188.0
[M+Na-2H]- 219.08635 147.4
[M]+ 198.11113 141.8
[M]- 198.11223 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.