CID 452281

2',3'-dideoxy-4'-thioadenosine

Structural Information

Molecular Formula
C10H13N5OS
SMILES
C1C[C@@H](S[C@@H]1CO)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C10H13N5OS/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(3-16)17-7/h4-7,16H,1-3H2,(H2,11,12,13)/t6-,7+/m0/s1
InChIKey
FHEFIYSZIYWDHO-NKWVEPMBSA-N
Compound name
[(2S,5R)-5-(6-aminopurin-9-yl)thiolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

251.08408 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.09136 152.4
[M+Na]+ 274.07330 163.4
[M-H]- 250.07680 154.7
[M+NH4]+ 269.11790 168.9
[M+K]+ 290.04724 158.8
[M+H-H2O]+ 234.08134 145.1
[M+HCOO]- 296.08228 167.5
[M+CH3COO]- 310.09793 164.2
[M+Na-2H]- 272.05875 153.1
[M]+ 251.08353 153.3
[M]- 251.08463 153.3
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