CID 476461

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

Structural Information

Molecular Formula
C14H21N9O2
SMILES
CCN(CC)C1=NC(=NC2=C1N=CN2[C@H]3C[C@@H]([C@H](O3)CO)N=[N+]=[N-])N
InChI
InChI=1S/C14H21N9O2/c1-3-22(4-2)12-11-13(19-14(15)18-12)23(7-17-11)10-5-8(20-21-16)9(6-24)25-10/h7-10,24H,3-6H2,1-2H3,(H2,15,18,19)/t8-,9+,10+/m0/s1
InChIKey
SBKVJGRLAWSUAC-IVZWLZJFSA-N
Compound name
[(2S,3S,5R)-5-[2-amino-6-(diethylamino)purin-9-yl]-3-azidooxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

347.18182 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.18910 177.6
[M+Na]+ 370.17104 184.0
[M-H]- 346.17454 184.4
[M+NH4]+ 365.21564 188.1
[M+K]+ 386.14498 177.4
[M+H-H2O]+ 330.17908 171.2
[M+HCOO]- 392.18002 202.9
[M+CH3COO]- 406.19567 221.2
[M+Na-2H]- 368.15649 184.8
[M]+ 347.18127 177.4
[M]- 347.18237 177.4
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.