CID 15954431

2-amino-9-[(1s,2r,3s)-3-hydroxy-2-(hydroxymethyl)cyclopentyl]-1h-purine-6-thione

Structural Information

Molecular Formula
C11H15N5O2S
SMILES
C1C[C@@H]([C@H]([C@H]1N2C=NC3=C2NC(=NC3=S)N)CO)O
InChI
InChI=1S/C11H15N5O2S/c12-11-14-9-8(10(19)15-11)13-4-16(9)6-1-2-7(18)5(6)3-17/h4-7,17-18H,1-3H2,(H3,12,14,15,19)/t5-,6-,7-/m0/s1
InChIKey
PXCBKDLTCNFJFA-ACZMJKKPSA-N
Compound name
2-amino-9-[(1S,2R,3S)-3-hydroxy-2-(hydroxymethyl)cyclopentyl]-3H-purine-6-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

281.09464 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.10192 161.7
[M+Na]+ 304.08386 173.0
[M-H]- 280.08736 161.9
[M+NH4]+ 299.12846 176.0
[M+K]+ 320.05780 166.4
[M+H-H2O]+ 264.09190 155.5
[M+HCOO]- 326.09284 173.7
[M+CH3COO]- 340.10849 172.1
[M+Na-2H]- 302.06931 160.0
[M]+ 281.09409 160.9
[M]- 281.09519 160.9
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.