CID 512708

Chembl1791040

Structural Information

Molecular Formula
C10H12ClN5O2
SMILES
C1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C(N=CN=C32)N)CCl
InChI
InChI=1S/C10H12ClN5O2/c11-2-5-1-6(17)10(18-5)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
SUVZONMRUXNRHL-BAJZRUMYSA-N
Compound name
(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(chloromethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.