CID 5273504

565435-09-8

Structural Information

Molecular Formula
C15H23N5O6
SMILES
C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3N(CCO)CCO)CO)O)O
InChI
InChI=1S/C15H23N5O6/c1-15(25)11(24)9(6-23)26-14(15)20-8-18-10-12(16-7-17-13(10)20)19(2-4-21)3-5-22/h7-9,11,14,21-25H,2-6H2,1H3/t9-,11-,14-,15-/m1/s1
InChIKey
LNDRAOSERUKLHM-NZQZLILVSA-N
Compound name
(2R,3R,4R,5R)-2-[6-[bis(2-hydroxyethyl)amino]purin-9-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

369.16483 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.17211 180.9
[M+Na]+ 392.15405 188.3
[M-H]- 368.15755 180.5
[M+NH4]+ 387.19865 190.3
[M+K]+ 408.12799 186.3
[M+H-H2O]+ 352.16209 173.5
[M+HCOO]- 414.16303 193.7
[M+CH3COO]- 428.17868 210.0
[M+Na-2H]- 390.13950 182.0
[M]+ 369.16428 184.5
[M]- 369.16538 184.5
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.