CID 6481828

9h-purin-6-amine, 9-(2,3-di-o-methyl-b-d-arabinofuranosyl)-

Structural Information

Molecular Formula
C12H17N5O4
SMILES
CO[C@@H]1[C@H](O[C@H]([C@H]1OC)N2C=NC3=C(N=CN=C32)N)CO
InChI
InChI=1S/C12H17N5O4/c1-19-8-6(3-18)21-12(9(8)20-2)17-5-16-7-10(13)14-4-15-11(7)17/h4-6,8-9,12,18H,3H2,1-2H3,(H2,13,14,15)/t6-,8-,9+,12-/m1/s1
InChIKey
YLTDWADIGWTCSP-QRKAXHLRSA-N
Compound name
[(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dimethoxyoxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

295.12805 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.13533 165.0
[M+Na]+ 318.11727 175.2
[M-H]- 294.12077 168.0
[M+NH4]+ 313.16187 177.5
[M+K]+ 334.09121 173.2
[M+H-H2O]+ 278.12531 156.5
[M+HCOO]- 340.12625 183.3
[M+CH3COO]- 354.14190 201.9
[M+Na-2H]- 316.10272 166.6
[M]+ 295.12750 169.2
[M]- 295.12860 169.2
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.