CID 482781

137719-29-0

Structural Information

Molecular Formula
C10H12ClN5OS
SMILES
C1C[C@@H](S[C@@H]1CO)N2C=NC3=C(N=C(N=C32)Cl)N
InChI
InChI=1S/C10H12ClN5OS/c11-10-14-8(12)7-9(15-10)16(4-13-7)6-2-1-5(3-17)18-6/h4-6,17H,1-3H2,(H2,12,14,15)/t5-,6+/m0/s1
InChIKey
FKKJDKODGQMPPN-NTSWFWBYSA-N
Compound name
[(2S,5R)-5-(6-amino-2-chloropurin-9-yl)thiolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

285.0451 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.05238 160.2
[M+Na]+ 308.03432 172.4
[M-H]- 284.03782 162.6
[M+NH4]+ 303.07892 176.3
[M+K]+ 324.00826 166.6
[M+H-H2O]+ 268.04236 153.3
[M+HCOO]- 330.04330 170.3
[M+CH3COO]- 344.05895 171.7
[M+Na-2H]- 306.01977 159.5
[M]+ 285.04455 163.0
[M]- 285.04565 163.0
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.