CID 455763

2i-2'f-a

Structural Information

Molecular Formula
C10H11FIN5O3
SMILES
C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)F)I)N
InChI
InChI=1S/C10H11FIN5O3/c11-4-6(19)3(1-18)20-9(4)17-2-14-5-7(13)15-10(12)16-8(5)17/h2-4,6,9,18-19H,1H2,(H2,13,15,16)/t3-,4-,6-,9-/m1/s1
InChIKey
KUXMANZJOIXSJI-DXTOWSMRSA-N
Compound name
(2R,3R,4R,5R)-5-(6-amino-2-iodopurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.98907 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.99635 165.1
[M+Na]+ 417.97829 169.6
[M-H]- 393.98179 159.3
[M+NH4]+ 413.02289 173.1
[M+K]+ 433.95223 171.6
[M+H-H2O]+ 377.98633 153.4
[M+HCOO]- 439.98727 176.6
[M+CH3COO]- 454.00292 172.0
[M+Na-2H]- 415.96374 154.6
[M]+ 394.98852 162.6
[M]- 394.98962 162.6
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.