CID 72410

149819-73-8

Structural Information

Molecular Formula
C9H10ClN5O2S
SMILES
C1[C@@H](O[C@@H](S1)CO)N2C=NC3=C2N=C(N=C3Cl)N
InChI
InChI=1S/C9H10ClN5O2S/c10-7-6-8(14-9(11)13-7)15(3-12-6)4-2-18-5(1-16)17-4/h3-5,16H,1-2H2,(H2,11,13,14)/t4-,5+/m1/s1
InChIKey
ZQYFBYPPSPKXNN-UHNVWZDZSA-N
Compound name
[(2S,5R)-5-(2-amino-6-chloropurin-9-yl)-1,3-oxathiolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

287.02438 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.03166 159.1
[M+Na]+ 310.01360 171.7
[M-H]- 286.01710 162.3
[M+NH4]+ 305.05820 173.8
[M+K]+ 325.98754 167.4
[M+H-H2O]+ 270.02164 152.5
[M+HCOO]- 332.02258 168.9
[M+CH3COO]- 346.03823 170.9
[M+Na-2H]- 307.99905 159.3
[M]+ 287.02383 163.4
[M]- 287.02493 163.4
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

No patent data available for this compound.