CID 15954441

2-amino-6-chloropurine ribofuranoside

Structural Information

Molecular Formula
C10H12ClN5O4
SMILES
C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C(=NC(=N2)N)Cl
InChI
InChI=1S/C10H12ClN5O4/c11-7-4-8(15-10(12)14-7)13-2-16(4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1
InChIKey
UYOICXMNQKUCAX-UUOKFMHZSA-N
Compound name
(2R,3R,4S,5R)-2-(2-amino-6-chloropurin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

301.05777 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.06505 164.5
[M+Na]+ 324.04699 176.1
[M-H]- 300.05049 165.3
[M+NH4]+ 319.09159 176.5
[M+K]+ 340.02093 171.7
[M+H-H2O]+ 284.05503 157.4
[M+HCOO]- 346.05597 175.7
[M+CH3COO]- 360.07162 175.1
[M+Na-2H]- 322.03244 164.9
[M]+ 301.05722 166.7
[M]- 301.05832 166.7
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.