CID 5273501

565435-08-7

Structural Information

Molecular Formula
C13H19N5O5
SMILES
C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)NCCO)CO)O)O
InChI
InChI=1S/C13H19N5O5/c1-13(22)9(21)7(4-20)23-12(13)18-6-17-8-10(14-2-3-19)15-5-16-11(8)18/h5-7,9,12,19-22H,2-4H2,1H3,(H,14,15,16)/t7-,9-,12-,13-/m1/s1
InChIKey
QQZBHMVUAJQVTG-NHULRPGXSA-N
Compound name
(2R,3R,4R,5R)-2-[6-(2-hydroxyethylamino)purin-9-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.1386 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.14588 170.5
[M+Na]+ 348.12782 179.6
[M-H]- 324.13132 170.2
[M+NH4]+ 343.17242 181.9
[M+K]+ 364.10176 176.4
[M+H-H2O]+ 308.13586 163.2
[M+HCOO]- 370.13680 184.8
[M+CH3COO]- 384.15245 200.9
[M+Na-2H]- 346.11327 173.2
[M]+ 325.13805 172.6
[M]- 325.13915 172.6
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.