CID 15955633

2'-deoxy-2'-fluoro-2'-c-methyladenosine

Structural Information

Molecular Formula
C11H14FN5O3
SMILES
C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)CO)O)F
InChI
InChI=1S/C11H14FN5O3/c1-11(12)7(19)5(2-18)20-10(11)17-4-16-6-8(13)14-3-15-9(6)17/h3-5,7,10,18-19H,2H2,1H3,(H2,13,14,15)/t5-,7-,10-,11-/m1/s1
InChIKey
FHAQINGPLIOVHX-YRKGHMEHSA-N
Compound name
(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

64
Patents

283.10806 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.11534 159.4
[M+Na]+ 306.09728 171.1
[M-H]- 282.10078 160.3
[M+NH4]+ 301.14188 174.0
[M+K]+ 322.07122 167.6
[M+H-H2O]+ 266.10532 151.3
[M+HCOO]- 328.10626 175.6
[M+CH3COO]- 342.12191 170.7
[M+Na-2H]- 304.08273 161.8
[M]+ 283.10751 159.7
[M]- 283.10861 159.7
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

patents stripe