CID 3005898

2-amino-9-[(2r)-2-hydroxypropyl]-1h-purine-6-thione

Structural Information

Molecular Formula
C8H11N5OS
SMILES
C[C@H](CN1C=NC2=C1NC(=NC2=S)N)O
InChI
InChI=1S/C8H11N5OS/c1-4(14)2-13-3-10-5-6(13)11-8(9)12-7(5)15/h3-4,14H,2H2,1H3,(H3,9,11,12,15)/t4-/m1/s1
InChIKey
WCBLSFFCFSSPPY-SCSAIBSYSA-N
Compound name
2-amino-9-[(2R)-2-hydroxypropyl]-3H-purine-6-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.06844 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.07572 147.0
[M+Na]+ 248.05766 158.9
[M-H]- 224.06116 144.9
[M+NH4]+ 243.10226 162.3
[M+K]+ 264.03160 153.1
[M+H-H2O]+ 208.06570 140.4
[M+HCOO]- 270.06664 160.5
[M+CH3COO]- 284.08229 158.5
[M+Na-2H]- 246.04311 149.4
[M]+ 225.06789 148.0
[M]- 225.06899 148.0
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.