CID 5274302

(3r)-3-(2-amino-6-chloro-purin-9-yl)-3-(2-hydroxyethoxy)propan-1-ol

Structural Information

Molecular Formula
C10H14ClN5O3
SMILES
C1=NC2=C(N1[C@@H](CCO)OCCO)N=C(N=C2Cl)N
InChI
InChI=1S/C10H14ClN5O3/c11-8-7-9(15-10(12)14-8)16(5-13-7)6(1-2-17)19-4-3-18/h5-6,17-18H,1-4H2,(H2,12,14,15)/t6-/m1/s1
InChIKey
DNECXKQOBQUXKZ-ZCFIWIBFSA-N
Compound name
(3R)-3-(2-amino-6-chloropurin-9-yl)-3-(2-hydroxyethoxy)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.07852 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.08580 159.7
[M+Na]+ 310.06774 170.0
[M-H]- 286.07124 156.8
[M+NH4]+ 305.11234 172.3
[M+K]+ 326.04168 165.1
[M+H-H2O]+ 270.07578 151.8
[M+HCOO]- 332.07672 173.1
[M+CH3COO]- 346.09237 196.5
[M+Na-2H]- 308.05319 163.9
[M]+ 287.07797 164.2
[M]- 287.07907 164.2
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.