CID 2724387

6-thioguanosine

Structural Information

Molecular Formula
C10H13N5O4S
SMILES
C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=NC2=S)N
InChI
InChI=1S/C10H13N5O4S/c11-10-13-7-4(8(20)14-10)12-2-15(7)9-6(18)5(17)3(1-16)19-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,20)/t3-,5-,6-,9-/m1/s1
InChIKey
OTDJAMXESTUWLO-UUOKFMHZSA-N
Compound name
2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

73
References

6422
Patents

299.06882 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.07610 166.2
[M+Na]+ 322.05804 175.5
[M+NH4]+ 317.10264 170.3
[M+K]+ 338.03198 175.5
[M-H]- 298.06154 166.1
[M+Na-2H]- 320.04349 166.0
[M]+ 299.06827 167.4
[M]- 299.06937 167.4
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

patents stripe