CID 16097995

(2r,3r,5s)-5-(hydroxymethyl)-2-[6-(hydroxymethyl)purin-9-yl]tetrahydrofuran-3-ol

Structural Information

Molecular Formula
C11H14N4O4
SMILES
C1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C(N=CN=C32)CO)CO
InChI
InChI=1S/C11H14N4O4/c16-2-6-1-8(18)11(19-6)15-5-14-9-7(3-17)12-4-13-10(9)15/h4-6,8,11,16-18H,1-3H2/t6-,8+,11+/m0/s1
InChIKey
HTQZXSVWRRTOTE-FMTFEUNWSA-N
Compound name
(2R,3R,5S)-5-(hydroxymethyl)-2-[6-(hydroxymethyl)purin-9-yl]oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1015 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.108776 157.2
[M+Na]+ 289.090718 167.0
[M-H]- 265.094224 157.7
[M+NH4]+ 284.135323 169.8
[M+K]+ 305.064658 164.0
[M+H-H2O]+ 249.098760 149.4
[M+HCOO]- 311.099701 172.4
[M+CH3COO]- 325.115351 168.0
[M+Na-2H]- 287.076166 159.3
[M]+ 266.10095142 158.7
[M]- 266.10204858 158.7
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.