CID 476458

[(2s,3s,5r)-5-[2-amino-6-[ethyl(methyl)amino]purin-9-yl]-3-azido-tetrahydrofuran-2-yl]methanol

Structural Information

Molecular Formula
C13H19N9O2
SMILES
CCN(C)C1=NC(=NC2=C1N=CN2[C@H]3C[C@@H]([C@H](O3)CO)N=[N+]=[N-])N
InChI
InChI=1S/C13H19N9O2/c1-3-21(2)11-10-12(18-13(14)17-11)22(6-16-10)9-4-7(19-20-15)8(5-23)24-9/h6-9,23H,3-5H2,1-2H3,(H2,14,17,18)/t7-,8+,9+/m0/s1
InChIKey
NYSMDZRHSPHFGN-DJLDLDEBSA-N
Compound name
[(2S,3S,5R)-5-[2-amino-6-[ethyl(methyl)amino]purin-9-yl]-3-azidooxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

333.16617 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.17345 173.2
[M+Na]+ 356.15539 180.1
[M-H]- 332.15889 180.2
[M+NH4]+ 351.19999 184.3
[M+K]+ 372.12933 173.7
[M+H-H2O]+ 316.16343 167.0
[M+HCOO]- 378.16437 198.8
[M+CH3COO]- 392.18002 218.2
[M+Na-2H]- 354.14084 180.8
[M]+ 333.16562 172.7
[M]- 333.16672 172.7
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.