CID 67034987

6-ethyl-2-mercapto-7h-pyrrolo[2,3-d]pyrimidin-4-ol

Structural Information

Molecular Formula
C8H9N3OS
SMILES
CCC1=CC2=C(N1)NC(=S)NC2=O
InChI
InChI=1S/C8H9N3OS/c1-2-4-3-5-6(9-4)10-8(13)11-7(5)12/h3H,2H2,1H3,(H3,9,10,11,12,13)
InChIKey
AZWSZNQCOPDGSS-UHFFFAOYSA-N
Compound name
6-ethyl-2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

195.04663 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.053906 138.6
[M+Na]+ 218.035848 151.6
[M-H]- 194.039354 136.8
[M+NH4]+ 213.080453 156.4
[M+K]+ 234.009788 144.4
[M+H-H2O]+ 178.043890 133.2
[M+HCOO]- 240.044831 152.7
[M+CH3COO]- 254.060481 151.1
[M+Na-2H]- 216.021296 141.8
[M]+ 195.04608142 138.9
[M]- 195.04717858 138.9
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

patents stripe