CID 16727519

9-[(1s,4r)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2,3-dihydro-1h-purine-6-thione

Structural Information

Molecular Formula
C11H14N4OS
SMILES
C1[C@H](C=C[C@H]1N2C=NC3=C2NCNC3=S)CO
InChI
InChI=1S/C11H14N4OS/c16-4-7-1-2-8(3-7)15-6-14-9-10(15)12-5-13-11(9)17/h1-2,6-8,12,16H,3-5H2,(H,13,17)/t7-,8+/m0/s1
InChIKey
OIOZXVLOHBJFRY-JGVFFNPUSA-N
Compound name
9-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2,3-dihydro-1H-purine-6-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

250.08884 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.09612 156.9
[M+Na]+ 273.07806 165.7
[M-H]- 249.08156 156.0
[M+NH4]+ 268.12266 172.3
[M+K]+ 289.05200 159.7
[M+H-H2O]+ 233.08610 150.2
[M+HCOO]- 295.08704 165.6
[M+CH3COO]- 309.10269 166.6
[M+Na-2H]- 271.06351 154.3
[M]+ 250.08829 152.7
[M]- 250.08939 152.7
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.