CID 3005897

9-[(2r)-2-hydroxypropyl]-1h-purine-6-thione

Structural Information

Molecular Formula
C8H10N4OS
SMILES
C[C@H](CN1C=NC2=C1NC=NC2=S)O
InChI
InChI=1S/C8H10N4OS/c1-5(13)2-12-4-11-6-7(12)9-3-10-8(6)14/h3-5,13H,2H2,1H3,(H,9,10,14)/t5-/m1/s1
InChIKey
RYNTUTZGVHDPEY-RXMQYKEDSA-N
Compound name
9-[(2R)-2-hydroxypropyl]-3H-purine-6-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.05753 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.06481 142.8
[M+Na]+ 233.04675 154.9
[M-H]- 209.05025 140.9
[M+NH4]+ 228.09135 159.1
[M+K]+ 249.02069 149.6
[M+H-H2O]+ 193.05479 136.3
[M+HCOO]- 255.05573 156.1
[M+CH3COO]- 269.07138 154.9
[M+Na-2H]- 231.03220 146.1
[M]+ 210.05698 145.2
[M]- 210.05808 145.2
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.