CID 462685

405238-93-9

Structural Information

Molecular Formula
C10H12FN3O3
SMILES
CC1=CN(C(=O)N=C1N)[C@H]2C(=C[C@H](O2)CO)F
InChI
InChI=1S/C10H12FN3O3/c1-5-3-14(10(16)13-8(5)12)9-7(11)2-6(4-15)17-9/h2-3,6,9,15H,4H2,1H3,(H2,12,13,16)/t6-,9+/m0/s1
InChIKey
FXTDBSIYZJHNDH-IMTBSYHQSA-N
Compound name
4-amino-1-[(2R,5S)-3-fluoro-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

241.08627 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.09355 150.6
[M+Na]+ 264.07549 161.3
[M-H]- 240.07899 153.6
[M+NH4]+ 259.12009 165.4
[M+K]+ 280.04943 158.5
[M+H-H2O]+ 224.08353 142.3
[M+HCOO]- 286.08447 170.7
[M+CH3COO]- 300.10012 191.8
[M+Na-2H]- 262.06094 152.6
[M]+ 241.08572 150.2
[M]- 241.08682 150.2
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.