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

literature stripe

Patent stripe

patents stripe