CID 9903330

Ff-10502

Structural Information

Molecular Formula
C9H12FN3O3S
SMILES
C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](S2)CO)O)F
InChI
InChI=1S/C9H12FN3O3S/c10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6+,7-,8-/m1/s1
InChIKey
NIDPJRZOVFIBQB-PXBUCIJWSA-N
Compound name
4-amino-1-[(2R,3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

226
Patents

261.05835 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.06563 153.1
[M+Na]+ 284.04757 162.7
[M-H]- 260.05107 153.9
[M+NH4]+ 279.09217 168.2
[M+K]+ 300.02151 157.8
[M+H-H2O]+ 244.05561 145.7
[M+HCOO]- 306.05655 166.4
[M+CH3COO]- 320.07220 190.5
[M+Na-2H]- 282.03302 151.1
[M]+ 261.05780 150.9
[M]- 261.05890 150.9
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