CID 3000251

C-d4-6-sh-purinenucleoside

Structural Information

Molecular Formula
C11H12N4OS
SMILES
C1[C@@H](C=C[C@@H]1N2C=NC3=C2NC=NC3=S)CO
InChI
InChI=1S/C11H12N4OS/c16-4-7-1-2-8(3-7)15-6-14-9-10(15)12-5-13-11(9)17/h1-2,5-8,16H,3-4H2,(H,12,13,17)/t7-,8+/m1/s1
InChIKey
KPOLRAAYAVQISJ-SFYZADRCSA-N
Compound name
9-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3H-purine-6-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

248.07318 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.08046 153.3
[M+Na]+ 271.06240 165.8
[M-H]- 247.06590 155.1
[M+NH4]+ 266.10700 170.0
[M+K]+ 287.03634 159.7
[M+H-H2O]+ 231.07044 146.6
[M+HCOO]- 293.07138 167.8
[M+CH3COO]- 307.08703 165.4
[M+Na-2H]- 269.04785 153.9
[M]+ 248.07263 155.1
[M]- 248.07373 155.1
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.