CID 455325

6dime-2'fda

Structural Information

Molecular Formula
C12H16FN5O3
SMILES
CN(C)C1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)F
InChI
InChI=1S/C12H16FN5O3/c1-17(2)10-8-11(15-4-14-10)18(5-16-8)12-7(13)9(20)6(3-19)21-12/h4-7,9,12,19-20H,3H2,1-2H3/t6-,7-,9-,12-/m1/s1
InChIKey
VYOFGEWTSVZOGF-GRIPGOBMSA-N
Compound name
(2R,3R,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.12372 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.13100 165.3
[M+Na]+ 320.11294 175.5
[M-H]- 296.11644 167.5
[M+NH4]+ 315.15754 178.0
[M+K]+ 336.08688 173.3
[M+H-H2O]+ 280.12098 156.2
[M+HCOO]- 342.12192 182.1
[M+CH3COO]- 356.13757 176.4
[M+Na-2H]- 318.09839 166.0
[M]+ 297.12317 167.6
[M]- 297.12427 167.6
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.