CID 476449

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

Structural Information

Molecular Formula
C13H19N9O2
SMILES
CCCNC1=C2C(=NC(=N1)N)N(C=N2)[C@H]3C[C@@H]([C@H](O3)CO)N=[N+]=[N-]
InChI
InChI=1S/C13H19N9O2/c1-2-3-16-11-10-12(19-13(14)18-11)22(6-17-10)9-4-7(20-21-15)8(5-23)24-9/h6-9,23H,2-5H2,1H3,(H3,14,16,18,19)/t7-,8+,9+/m0/s1
InChIKey
VGPTVLPJUCPPCR-DJLDLDEBSA-N
Compound name
[(2S,3S,5R)-5-[2-amino-6-(propylamino)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

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.17345 171.3
[M+Na]+ 356.15539 178.1
[M-H]- 332.15889 176.9
[M+NH4]+ 351.19999 181.8
[M+K]+ 372.12933 170.4
[M+H-H2O]+ 316.16343 165.2
[M+HCOO]- 378.16437 196.5
[M+CH3COO]- 392.18002 215.2
[M+Na-2H]- 354.14084 179.8
[M]+ 333.16562 169.7
[M]- 333.16672 169.7
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.