CID 453758

137719-31-4

Structural Information

Molecular Formula
C10H14N6OS
SMILES
C1C[C@@H](S[C@@H]1CO)N2C=NC3=C(N=C(N=C32)N)N
InChI
InChI=1S/C10H14N6OS/c11-8-7-9(15-10(12)14-8)16(4-13-7)6-2-1-5(3-17)18-6/h4-6,17H,1-3H2,(H4,11,12,14,15)/t5-,6+/m0/s1
InChIKey
XCBQEWWAIKYUCJ-NTSWFWBYSA-N
Compound name
[(2S,5R)-5-(2,6-diaminopurin-9-yl)thiolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

266.09497 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.10225 155.2
[M+Na]+ 289.08419 166.1
[M-H]- 265.08769 157.4
[M+NH4]+ 284.12879 170.8
[M+K]+ 305.05813 161.1
[M+H-H2O]+ 249.09223 148.0
[M+HCOO]- 311.09317 170.6
[M+CH3COO]- 325.10882 166.6
[M+Na-2H]- 287.06964 155.5
[M]+ 266.09442 155.0
[M]- 266.09552 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

literature stripe

Patent stripe

No patent data available for this compound.