CID 3006943

5-(2-amino-4,5-dihydro-purin-9-yl)-4-fluoro-2-hydroxymethyl-tetrahydro-furan-3-ol

Structural Information

Molecular Formula
C10H14FN5O3
SMILES
C1=NC(=NC2C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)F)N
InChI
InChI=1S/C10H14FN5O3/c11-6-7(18)5(2-17)19-9(6)16-3-14-4-1-13-10(12)15-8(4)16/h1,3-9,17-18H,2H2,(H2,12,15)/t4?,5-,6-,7-,8?,9-/m1/s1
InChIKey
MVWBSGIURNZKKH-OCMWVCPCSA-N
Compound name
(2R,3R,4R,5R)-5-(2-amino-4,5-dihydropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

271.10806 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.11534 159.3
[M+Na]+ 294.09728 168.3
[M-H]- 270.10078 159.1
[M+NH4]+ 289.14188 172.0
[M+K]+ 310.07122 165.2
[M+H-H2O]+ 254.10532 150.5
[M+HCOO]- 316.10626 172.7
[M+CH3COO]- 330.12191 169.3
[M+Na-2H]- 292.08273 158.8
[M]+ 271.10751 155.9
[M]- 271.10861 155.9
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.