CID 3000249

C-2',3'-oh-ara-6-sh-purine

Structural Information

Molecular Formula
C11H14N4O3S
SMILES
C1[C@@H]([C@H]([C@@H]([C@@H]1N2C=NC3=C2NC=NC3=S)O)O)CO
InChI
InChI=1S/C11H14N4O3S/c16-2-5-1-6(9(18)8(5)17)15-4-14-7-10(15)12-3-13-11(7)19/h3-6,8-9,16-18H,1-2H2,(H,12,13,19)/t5-,6-,8-,9-/m1/s1
InChIKey
CSPPGTBBWFVGTB-SQEXRHODSA-N
Compound name
9-[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3H-purine-6-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

282.07867 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.08595 162.0
[M+Na]+ 305.06789 173.4
[M-H]- 281.07139 161.3
[M+NH4]+ 300.11249 176.0
[M+K]+ 321.04183 167.1
[M+H-H2O]+ 265.07593 156.2
[M+HCOO]- 327.07687 172.2
[M+CH3COO]- 341.09252 172.3
[M+Na-2H]- 303.05334 160.0
[M]+ 282.07812 162.3
[M]- 282.07922 162.3
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

patents stripe