CID 3000792

42204-09-1

Structural Information

Molecular Formula
C9H10N4OS
SMILES
C1CC(OC1)N2C=NC3=C2NC=NC3=S
InChI
InChI=1S/C9H10N4OS/c15-9-7-8(10-4-11-9)13(5-12-7)6-2-1-3-14-6/h4-6H,1-3H2,(H,10,11,15)
InChIKey
DXIBRFHEZZOPFH-UHFFFAOYSA-N
Compound name
9-(oxolan-2-yl)-3H-purine-6-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

52
Patents

222.05753 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.06481 144.8
[M+Na]+ 245.04675 157.0
[M-H]- 221.05025 148.0
[M+NH4]+ 240.09135 161.6
[M+K]+ 261.02069 153.4
[M+H-H2O]+ 205.05479 138.0
[M+HCOO]- 267.05573 159.2
[M+CH3COO]- 281.07138 157.6
[M+Na-2H]- 243.03220 146.6
[M]+ 222.05698 146.3
[M]- 222.05808 146.3
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.