CID 5273014

3'-chloro-3'-deoxyxyloa

Structural Information

Molecular Formula
C10H12ClN5O3
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@H]([C@H](O3)CO)Cl)O)N
InChI
InChI=1S/C10H12ClN5O3/c11-5-4(1-17)19-10(7(5)18)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1H2,(H2,12,13,14)/t4-,5+,7-,10-/m1/s1
InChIKey
MFLYVFVVSXGXLN-GQTRHBFLSA-N
Compound name
(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-4-chloro-5-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

285.06287 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.07015 161.2
[M+Na]+ 308.05209 172.7
[M-H]- 284.05559 162.9
[M+NH4]+ 303.09669 174.4
[M+K]+ 324.02603 168.3
[M+H-H2O]+ 268.06013 153.5
[M+HCOO]- 330.06107 173.8
[M+CH3COO]- 344.07672 172.3
[M+Na-2H]- 306.03754 162.6
[M]+ 285.06232 163.4
[M]- 285.06342 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

literature stripe

Patent stripe

No patent data available for this compound.