CID 135494187

Inosine 5'-sulfate

Structural Information

Molecular Formula
C10H12N4O8S
SMILES
C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)O)O)O
InChI
InChI=1S/C10H12N4O8S/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKey
IGYLPKLXFDOQGM-KQYNXXCUSA-N
Compound name
[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

348.0376 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.04488 174.3
[M+Na]+ 371.02682 182.3
[M+NH4]+ 366.07142 175.9
[M+K]+ 387.00076 184.9
[M-H]- 347.03032 171.1
[M+Na-2H]- 369.01227 173.3
[M]+ 348.03705 174.3
[M]- 348.03815 174.3
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