CID 456109

2',3'-dideoxy-3'-mercaptoadenosine

Structural Information

Molecular Formula
C10H13N5O2S
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)CO)S
InChI
InChI=1S/C10H13N5O2S/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-6(18)5(2-16)17-7/h3-7,16,18H,1-2H2,(H2,11,12,13)/t5-,6+,7-/m1/s1
InChIKey
NZPZYESLZLGPGM-DSYKOEDSSA-N
Compound name
[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-sulfanyloxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.079 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.08628 156.8
[M+Na]+ 290.06822 168.6
[M-H]- 266.07172 160.0
[M+NH4]+ 285.11282 171.6
[M+K]+ 306.04216 165.3
[M+H-H2O]+ 250.07626 150.0
[M+HCOO]- 312.07720 171.1
[M+CH3COO]- 326.09285 168.8
[M+Na-2H]- 288.05367 157.1
[M]+ 267.07845 159.9
[M]- 267.07955 159.9
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

No patent data available for this compound.