CID 454985

(-).b.dioxol-6mespur

Structural Information

Molecular Formula
C10H12N4O3S
SMILES
CSC1=NC=NC2=C1N=CN2[C@H]3CO[C@H](O3)CO
InChI
InChI=1S/C10H12N4O3S/c1-18-10-8-9(11-4-12-10)14(5-13-8)6-3-16-7(2-15)17-6/h4-7,15H,2-3H2,1H3/t6-,7-/m1/s1
InChIKey
IEFHKUDNQHXOIZ-RNFRBKRXSA-N
Compound name
[(2R,4R)-4-(6-methylsulfanylpurin-9-yl)-1,3-dioxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.06302 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.07030 155.6
[M+Na]+ 291.05224 167.5
[M-H]- 267.05574 159.6
[M+NH4]+ 286.09684 169.3
[M+K]+ 307.02618 166.2
[M+H-H2O]+ 251.06028 149.1
[M+HCOO]- 313.06122 169.0
[M+CH3COO]- 327.07687 168.0
[M+Na-2H]- 289.03769 156.9
[M]+ 268.06247 161.7
[M]- 268.06357 161.7
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.