CID 3000449

(-).b.dioxol-6shpur

Structural Information

Molecular Formula
C9H10N4O3S
SMILES
C1[C@@H](O[C@@H](O1)CO)N2C=NC3=C2NC=NC3=S
InChI
InChI=1S/C9H10N4O3S/c14-1-6-15-2-5(16-6)13-4-12-7-8(13)10-3-11-9(7)17/h3-6,14H,1-2H2,(H,10,11,17)/t5-,6-/m1/s1
InChIKey
SRCINQDFKGAFOD-PHDIDXHHSA-N
Compound name
9-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-3H-purine-6-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

254.04736 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.05464 151.7
[M+Na]+ 277.03658 163.9
[M-H]- 253.04008 154.6
[M+NH4]+ 272.08118 165.3
[M+K]+ 293.01052 161.3
[M+H-H2O]+ 237.04462 145.7
[M+HCOO]- 299.04556 164.1
[M+CH3COO]- 313.06121 163.9
[M+Na-2H]- 275.02203 153.1
[M]+ 254.04681 155.0
[M]- 254.04791 155.0
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.