CID 474177

[(2r,4r)-4-(6-chloropurin-9-yl)-1,3-dithiolan-2-yl]methanol

Structural Information

Molecular Formula
C9H9ClN4OS2
SMILES
C1[C@@H](S[C@@H](S1)CO)N2C=NC3=C2N=CN=C3Cl
InChI
InChI=1S/C9H9ClN4OS2/c10-8-7-9(12-3-11-8)14(4-13-7)5-2-16-6(1-15)17-5/h3-6,15H,1-2H2/t5-,6-/m1/s1
InChIKey
WZEYYHVTOGINDA-PHDIDXHHSA-N
Compound name
[(2R,4R)-4-(6-chloropurin-9-yl)-1,3-dithiolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.99063 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.99791 156.3
[M+Na]+ 310.97985 169.8
[M-H]- 286.98335 159.2
[M+NH4]+ 306.02445 173.3
[M+K]+ 326.95379 164.1
[M+H-H2O]+ 270.98789 151.1
[M+HCOO]- 332.98883 161.7
[M+CH3COO]- 347.00448 168.2
[M+Na-2H]- 308.96530 155.0
[M]+ 287.99008 161.2
[M]- 287.99118 161.2
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.