CID 3009862

690269-86-4

Structural Information

Molecular Formula
C11H14N4O4
SMILES
C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=CN=CN=C32)CO)O)O
InChI
InChI=1S/C11H14N4O4/c1-11(18)8(17)7(3-16)19-10(11)15-5-14-6-2-12-4-13-9(6)15/h2,4-5,7-8,10,16-18H,3H2,1H3/t7-,8-,10-,11-/m1/s1
InChIKey
HAUCHRMUNOHPHD-YJFSRANCSA-N
Compound name
(2R,3R,4R,5R)-5-(hydroxymethyl)-3-methyl-2-purin-9-yloxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

266.1015 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.108776 156.2
[M+Na]+ 289.090718 167.2
[M-H]- 265.094224 157.1
[M+NH4]+ 284.135323 171.0
[M+K]+ 305.064658 164.4
[M+H-H2O]+ 249.098760 149.1
[M+HCOO]- 311.099701 171.6
[M+CH3COO]- 325.115351 167.6
[M+Na-2H]- 287.076166 159.7
[M]+ 266.10095142 158.2
[M]- 266.10204858 158.2
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

patents stripe