CID 135409743

Chembl2115385

Structural Information

Molecular Formula
C10H10FN5O2S
SMILES
C1=C([C@H](S[C@H]1N2C=NC3=C2N=C(NC3=O)N)CO)F
InChI
InChI=1S/C10H10FN5O2S/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
TUQMDJSMBCOFMU-PHDIDXHHSA-N
Compound name
2-amino-9-[(2R,5R)-4-fluoro-5-(hydroxymethyl)-2,5-dihydrothiophen-2-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.05392 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.06120 157.7
[M+Na]+ 306.04314 170.8
[M-H]- 282.04664 158.4
[M+NH4]+ 301.08774 172.6
[M+K]+ 322.01708 164.5
[M+H-H2O]+ 266.05118 150.4
[M+HCOO]- 328.05212 171.8
[M+CH3COO]- 342.06777 169.2
[M+Na-2H]- 304.02859 157.2
[M]+ 283.05337 158.7
[M]- 283.05447 158.7
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

No patent data available for this compound.