CID 482504

Chembl67859

Structural Information

Molecular Formula
C10H13N5O3S
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@@H]3[C@H]([C@@H]([C@H](S3)CO)O)O)N
InChI
InChI=1S/C10H13N5O3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7+,10+/m1/s1
InChIKey
SIGIJBMOORTVPB-KMPDEGCQSA-N
Compound name
(2S,3S,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)thiolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

12
Patents

283.0739 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.08118 159.6
[M+Na]+ 306.06312 170.6
[M-H]- 282.06662 160.0
[M+NH4]+ 301.10772 173.6
[M+K]+ 322.03706 165.5
[M+H-H2O]+ 266.07116 153.4
[M+HCOO]- 328.07210 171.9
[M+CH3COO]- 342.08775 170.2
[M+Na-2H]- 304.04857 158.7
[M]+ 283.07335 160.5
[M]- 283.07445 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.