CID 4572133

1785764-26-2

Structural Information

Molecular Formula
C8H14N4O2
SMILES
CCN1C(=C(C(=O)N(C1=O)CC)N)N
InChI
InChI=1S/C8H14N4O2/c1-3-11-6(10)5(9)7(13)12(4-2)8(11)14/h3-4,9-10H2,1-2H3
InChIKey
UYSUETCFMBIADB-UHFFFAOYSA-N
Compound name
5,6-diamino-1,3-diethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

198.11168 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.118956 142.6
[M+Na]+ 221.100898 154.0
[M-H]- 197.104404 144.2
[M+NH4]+ 216.145503 159.4
[M+K]+ 237.074838 150.9
[M+H-H2O]+ 181.108940 135.6
[M+HCOO]- 243.109881 166.4
[M+CH3COO]- 257.125531 191.1
[M+Na-2H]- 219.086346 146.1
[M]+ 198.11113142 143.1
[M]- 198.11222858 143.1
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