CID 460179

[(3r,5s)-5-[6-(methylamino)purin-9-yl]tetrahydrothiophen-3-yl]methanol

Structural Information

Molecular Formula
C11H15N5OS
SMILES
CNC1=C2C(=NC=N1)N(C=N2)[C@@H]3C[C@@H](CS3)CO
InChI
InChI=1S/C11H15N5OS/c1-12-10-9-11(14-5-13-10)16(6-15-9)8-2-7(3-17)4-18-8/h5-8,17H,2-4H2,1H3,(H,12,13,14)/t7-,8+/m1/s1
InChIKey
JTKFHNHPUOPURU-SFYZADRCSA-N
Compound name
[(3R,5S)-5-[6-(methylamino)purin-9-yl]thiolan-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

265.09973 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.10701 156.5
[M+Na]+ 288.08895 167.1
[M-H]- 264.09245 159.1
[M+NH4]+ 283.13355 172.7
[M+K]+ 304.06289 162.6
[M+H-H2O]+ 248.09699 148.9
[M+HCOO]- 310.09793 171.8
[M+CH3COO]- 324.11358 168.1
[M+Na-2H]- 286.07440 157.7
[M]+ 265.09918 158.6
[M]- 265.10028 158.6
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

No patent data available for this compound.