CID 5273494

(2r,3r,4r,5r)-5-(hydroxymethyl)-3-methyl-2-[6-[methyl-[2-(methylamino)ethyl]amino]purin-9-yl]tetrahydrofuran-3,4-diol

Structural Information

Molecular Formula
C15H24N6O4
SMILES
C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3N(C)CCNC)CO)O)O
InChI
InChI=1S/C15H24N6O4/c1-15(24)11(23)9(6-22)25-14(15)21-8-19-10-12(17-7-18-13(10)21)20(3)5-4-16-2/h7-9,11,14,16,22-24H,4-6H2,1-3H3/t9-,11-,14-,15-/m1/s1
InChIKey
NNUVVRMSYBHBAL-NZQZLILVSA-N
Compound name
(2R,3R,4R,5R)-5-(hydroxymethyl)-3-methyl-2-[6-[methyl-[2-(methylamino)ethyl]amino]purin-9-yl]oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.1859 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.19318 179.2
[M+Na]+ 375.17512 187.3
[M-H]- 351.17862 181.4
[M+NH4]+ 370.21972 190.6
[M+K]+ 391.14906 185.3
[M+H-H2O]+ 335.18316 171.1
[M+HCOO]- 397.18410 195.8
[M+CH3COO]- 411.19975 214.8
[M+Na-2H]- 373.16057 181.4
[M]+ 352.18535 182.8
[M]- 352.18645 182.8
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.