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]+ 199.11896 142.6
[M+Na]+ 221.10090 154.0
[M-H]- 197.10440 144.2
[M+NH4]+ 216.14550 159.4
[M+K]+ 237.07484 150.9
[M+H-H2O]+ 181.10894 135.6
[M+HCOO]- 243.10988 166.4
[M+CH3COO]- 257.12553 191.1
[M+Na-2H]- 219.08635 146.1
[M]+ 198.11113 143.1
[M]- 198.11223 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.