CID 135424608

Chembl2364553

Structural Information

Molecular Formula
C10H10FN5O3
SMILES
C1=C([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)CO)F
InChI
InChI=1S/C10H10FN5O3/c11-4-1-6(19-5(4)2-17)16-3-13-7-8(16)14-10(12)15-9(7)18/h1,3,5-6,17H,2H2,(H3,12,14,15,18)/t5-,6-/m1/s1
InChIKey
ZKETWNYKASKVLX-PHDIDXHHSA-N
Compound name
2-amino-9-[(2R,5R)-4-fluoro-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

267.07678 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.08406 155.0
[M+Na]+ 290.06600 167.3
[M-H]- 266.06950 156.1
[M+NH4]+ 285.11060 168.1
[M+K]+ 306.03994 163.0
[M+H-H2O]+ 250.07404 146.4
[M+HCOO]- 312.07498 172.9
[M+CH3COO]- 326.09063 166.7
[M+Na-2H]- 288.05145 157.4
[M]+ 267.07623 155.2
[M]- 267.07733 155.2
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.