CID 14503094

9-beta-d-arabinofuranosyl-9h-purine-6-sulfinamide

Structural Information

Molecular Formula
C10H13N5O5S
SMILES
C1=NC2=C(C(=N1)S(=O)N)N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C10H13N5O5S/c11-21(19)9-5-8(12-2-13-9)15(3-14-5)10-7(18)6(17)4(1-16)20-10/h2-4,6-7,10,16-18H,1,11H2/t4-,6-,7+,10-,21?/m1/s1
InChIKey
CVUBOZOQGQKAPH-UIAKCAEKSA-N
Compound name
9-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-6-sulfinamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

315.06375 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.07103 165.5
[M+Na]+ 338.05297 175.9
[M-H]- 314.05647 166.6
[M+NH4]+ 333.09757 176.6
[M+K]+ 354.02691 172.9
[M+H-H2O]+ 298.06101 159.5
[M+HCOO]- 360.06195 176.4
[M+CH3COO]- 374.07760 175.7
[M+Na-2H]- 336.03842 164.4
[M]+ 315.06320 168.4
[M]- 315.06430 168.4
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

patents stripe