CID 355450

Endalin

Structural Information

Molecular Formula

C₉H₁₂FN₃O₃

SMILES

C1CC(OC1CO)N2C=C(C(=NC2=O)N)F

InChI

InChI=1S/C9H12FN3O3/c10-6-3-13(9(15)12-8(6)11)7-2-1-5(4-14)16-7/h3,5,7,14H,1-2,4H2,(H2,11,12,15)

InChIKey

QBEIABZPRBJOFU-UHFFFAOYSA-N

Compound name

4-amino-5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 690
References: 43
Patents: 229.08627 Da
Monoisotopic Mass: -1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	230.09355	149.2
[M+Na]+	252.07549	159.1
[M+NH4]+	247.12009	154.5
[M+K]+	268.04943	157.3
[M-H]-	228.07899	150.1
[M+Na-2H]-	250.06094	152.3
[M]+	229.08572	150.4
[M]-	229.08682	150.4

Literature stripe

literature stripe

Patent stripe

patents stripe