CID 2066064

476481-77-3

Structural Information

Molecular Formula
C10H14N4O3S
SMILES
CCOCCN1C2=C(NC1=S)N(C(=O)NC2=O)C
InChI
InChI=1S/C10H14N4O3S/c1-3-17-5-4-14-6-7(11-10(14)18)13(2)9(16)12-8(6)15/h3-5H2,1-2H3,(H,11,18)(H,12,15,16)
InChIKey
YGKSNZDZBQJPTH-UHFFFAOYSA-N
Compound name
7-(2-ethoxyethyl)-3-methyl-8-sulfanylidene-9H-purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.07867 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.085946 158.2
[M+Na]+ 293.067888 172.1
[M-H]- 269.071394 156.8
[M+NH4]+ 288.112493 172.5
[M+K]+ 309.041828 165.6
[M+H-H2O]+ 253.075930 151.7
[M+HCOO]- 315.076871 172.2
[M+CH3COO]- 329.092521 191.5
[M+Na-2H]- 291.053336 159.4
[M]+ 270.07812142 164.2
[M]- 270.07921858 164.2
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.