CID 3006938

Schembl16368285

Structural Information

Molecular Formula
C10H14FN5O3
SMILES
C1=NC2C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)F
InChI
InChI=1S/C10H14FN5O3/c11-5-7(18)4(1-17)19-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-7,9-10,17-18H,1H2,(H2,12,13,14)/t4-,5-,6?,7-,9?,10-/m1/s1
InChIKey
FKARLDDTEQALJC-GYNRGZAHSA-N
Compound name
(2R,3R,4R,5R)-5-(6-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

26
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

patents stripe