CID 3000252

C-dd-6-sh-purinenucleoside

Structural Information

Molecular Formula
C11H14N4OS
SMILES
C1C[C@@H](C[C@@H]1CO)N2C=NC3=C2NC=NC3=S
InChI
InChI=1S/C11H14N4OS/c16-4-7-1-2-8(3-7)15-6-14-9-10(15)12-5-13-11(9)17/h5-8,16H,1-4H2,(H,12,13,17)/t7-,8+/m1/s1
InChIKey
HHDJBCHYDZERTN-SFYZADRCSA-N
Compound name
9-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]-3H-purine-6-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

250.08884 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.09612 154.7
[M+Na]+ 273.07806 166.0
[M-H]- 249.08156 156.0
[M+NH4]+ 268.12266 171.1
[M+K]+ 289.05200 160.3
[M+H-H2O]+ 233.08610 147.8
[M+HCOO]- 295.08704 167.7
[M+CH3COO]- 309.10269 166.1
[M+Na-2H]- 271.06351 154.3
[M]+ 250.08829 155.0
[M]- 250.08939 155.0
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