CID 452599

2,6-dicl-ddp

Structural Information

Molecular Formula
C10H10Cl2N4O2
SMILES
C1C[C@@H](O[C@@H]1CO)N2C=NC3=C2N=C(N=C3Cl)Cl
InChI
InChI=1S/C10H10Cl2N4O2/c11-8-7-9(15-10(12)14-8)16(4-13-7)6-2-1-5(3-17)18-6/h4-6,17H,1-3H2/t5-,6+/m0/s1
InChIKey
RGYWJHROUWPNRP-NTSWFWBYSA-N
Compound name
[(2S,5R)-5-(2,6-dichloropurin-9-yl)oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

288.01807 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.02535 160.2
[M+Na]+ 311.00729 172.4
[M-H]- 287.01079 162.0
[M+NH4]+ 306.05189 174.6
[M+K]+ 326.98123 167.7
[M+H-H2O]+ 271.01533 151.8
[M+HCOO]- 333.01627 168.1
[M+CH3COO]- 347.03192 171.5
[M+Na-2H]- 308.99274 161.7
[M]+ 288.01752 164.4
[M]- 288.01862 164.4
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