CID 451873

2'-cldda

Structural Information

Molecular Formula
C10H12ClN5O2
SMILES
C1[C@H](O[C@H]([C@H]1Cl)N2C=NC3=C(N=CN=C32)N)CO
InChI
InChI=1S/C10H12ClN5O2/c11-6-1-5(2-17)18-10(6)16-4-15-7-8(12)13-3-14-9(7)16/h3-6,10,17H,1-2H2,(H2,12,13,14)/t5-,6-,10+/m0/s1
InChIKey
RHPYWNXOKZLKEM-JFWOZONXSA-N
Compound name
[(2S,4S,5R)-5-(6-aminopurin-9-yl)-4-chlorooxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

269.06796 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.07524 157.9
[M+Na]+ 292.05718 169.2
[M-H]- 268.06068 160.3
[M+NH4]+ 287.10178 172.2
[M+K]+ 308.03112 165.0
[M+H-H2O]+ 252.06522 149.5
[M+HCOO]- 314.06616 171.7
[M+CH3COO]- 328.08181 169.5
[M+Na-2H]- 290.04263 160.1
[M]+ 269.06741 160.0
[M]- 269.06851 160.0
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