CID 469717

Elvucitabine

Structural Information

Molecular Formula
C9H10FN3O3
SMILES
C1=C[C@H](O[C@H]1CO)N2C=C(C(=NC2=O)N)F
InChI
InChI=1S/C9H10FN3O3/c10-6-3-13(9(15)12-8(6)11)7-2-1-5(4-14)16-7/h1-3,5,7,14H,4H2,(H2,11,12,15)/t5-,7+/m1/s1
InChIKey
HSBKFSPNDWWPSL-VDTYLAMSSA-N
Compound name
4-amino-5-fluoro-1-[(2S,5R)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

56
References

7338
Patents

227.07062 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.07790 145.5
[M+Na]+ 250.05984 155.8
[M-H]- 226.06334 148.3
[M+NH4]+ 245.10444 160.6
[M+K]+ 266.03378 153.2
[M+H-H2O]+ 210.06788 137.1
[M+HCOO]- 272.06882 165.9
[M+CH3COO]- 286.08447 187.4
[M+Na-2H]- 248.04529 148.8
[M]+ 227.07007 144.4
[M]- 227.07117 144.4
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