CID 453755

137819-73-9

Structural Information

Molecular Formula
C10H11ClN4OS
SMILES
C1C[C@@H](S[C@@H]1CO)N2C=NC3=C2N=CN=C3Cl
InChI
InChI=1S/C10H11ClN4OS/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(3-16)17-7/h4-7,16H,1-3H2/t6-,7+/m0/s1
InChIKey
FVTOAGYDCTXLRX-NKWVEPMBSA-N
Compound name
[(2S,5R)-5-(6-chloropurin-9-yl)thiolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

270.0342 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.04148 156.5
[M+Na]+ 293.02342 168.9
[M-H]- 269.02692 159.1
[M+NH4]+ 288.06802 173.6
[M+K]+ 308.99736 163.6
[M+H-H2O]+ 253.03146 149.5
[M+HCOO]- 315.03240 166.3
[M+CH3COO]- 329.04805 168.5
[M+Na-2H]- 291.00887 156.5
[M]+ 270.03365 160.5
[M]- 270.03475 160.5
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.