CID 5273488

565450-76-2

Structural Information

Molecular Formula
C12H17N5O4
SMILES
C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)NC)CO)O)O
InChI
InChI=1S/C12H17N5O4/c1-12(20)8(19)6(3-18)21-11(12)17-5-16-7-9(13-2)14-4-15-10(7)17/h4-6,8,11,18-20H,3H2,1-2H3,(H,13,14,15)/t6-,8-,11-,12-/m1/s1
InChIKey
VZNPPUSZNNZBJU-YUTYNTIBSA-N
Compound name
(2R,3R,4R,5R)-5-(hydroxymethyl)-3-methyl-2-[6-(methylamino)purin-9-yl]oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

295.12805 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.13533 164.0
[M+Na]+ 318.11727 174.4
[M-H]- 294.12077 165.2
[M+NH4]+ 313.16187 177.5
[M+K]+ 334.09121 171.4
[M+H-H2O]+ 278.12531 156.8
[M+HCOO]- 340.12625 180.1
[M+CH3COO]- 354.14190 174.8
[M+Na-2H]- 316.10272 167.3
[M]+ 295.12750 166.2
[M]- 295.12860 166.2
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.