CID 10635602

9-(3-fluoro-3-hydroxymethyl-cyclopentyl)-1,9-dihydro-purine-6-thione

Structural Information

Molecular Formula
C11H13FN4OS
SMILES
C1C[C@](C[C@H]1N2C=NC3=C2NC=NC3=S)(CO)F
InChI
InChI=1S/C11H13FN4OS/c12-11(4-17)2-1-7(3-11)16-6-15-8-9(16)13-5-14-10(8)18/h5-7,17H,1-4H2,(H,13,14,18)/t7-,11-/m0/s1
InChIKey
FMELPXPMLQZDDK-CPCISQLKSA-N
Compound name
9-[(1S,3S)-3-fluoro-3-(hydroxymethyl)cyclopentyl]-3H-purine-6-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.0794 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08668 155.2
[M+Na]+ 291.06862 167.5
[M-H]- 267.07212 155.4
[M+NH4]+ 286.11322 172.9
[M+K]+ 307.04256 161.5
[M+H-H2O]+ 251.07666 147.9
[M+HCOO]- 313.07760 167.3
[M+CH3COO]- 327.09325 166.6
[M+Na-2H]- 289.05407 155.8
[M]+ 268.07885 155.0
[M]- 268.07995 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.