CID 476460

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

Structural Information

Molecular Formula
C14H19N9O2
SMILES
CN(C1CC1)C2=NC(=NC3=C2N=CN3[C@H]4C[C@@H]([C@H](O4)CO)N=[N+]=[N-])N
InChI
InChI=1S/C14H19N9O2/c1-22(7-2-3-7)12-11-13(19-14(15)18-12)23(6-17-11)10-4-8(20-21-16)9(5-24)25-10/h6-10,24H,2-5H2,1H3,(H2,15,18,19)/t8-,9+,10+/m0/s1
InChIKey
JFHWMFYNLADZQU-IVZWLZJFSA-N
Compound name
[(2S,3S,5R)-5-[2-amino-6-[cyclopropyl(methyl)amino]purin-9-yl]-3-azidooxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.16617 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.17345 175.9
[M+Na]+ 368.15539 184.3
[M-H]- 344.15889 185.7
[M+NH4]+ 363.19999 181.9
[M+K]+ 384.12933 174.6
[M+H-H2O]+ 328.16343 170.7
[M+HCOO]- 390.16437 201.0
[M+CH3COO]- 404.18002 221.4
[M+Na-2H]- 366.14084 182.8
[M]+ 345.16562 176.7
[M]- 345.16672 176.7
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.