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]+ 196.05391 138.6
[M+Na]+ 218.03585 151.6
[M-H]- 194.03935 136.8
[M+NH4]+ 213.08045 156.4
[M+K]+ 234.00979 144.4
[M+H-H2O]+ 178.04389 133.2
[M+HCOO]- 240.04483 152.7
[M+CH3COO]- 254.06048 151.1
[M+Na-2H]- 216.02130 141.8
[M]+ 195.04608 138.9
[M]- 195.04718 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