CID 2577

Carmofur

Structural Information

Molecular Formula

C₁₁H₁₆FN₃O₃

SMILES

CCCCCCNC(=O)N1C=C(C(=O)NC1=O)F

InChI

InChI=1S/C11H16FN3O3/c1-2-3-4-5-6-13-10(17)15-7-8(12)9(16)14-11(15)18/h7H,2-6H2,1H3,(H,13,17)(H,14,16,18)

InChIKey

AOCCBINRVIKJHY-UHFFFAOYSA-N

Compound name

5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 270
References: 58386
Patents: 257.11758 Da
Monoisotopic Mass: 2.6
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]+	258.12486	155.6
[M+Na]+	280.10680	164.3
[M-H]-	256.11030	154.3
[M+NH4]+	275.15140	169.4
[M+K]+	296.08074	160.4
[M+H-H2O]+	240.11484	147.0
[M+HCOO]-	302.11578	175.6
[M+CH3COO]-	316.13143	194.7
[M+Na-2H]-	278.09225	158.7
[M]+	257.11703	156.1
[M]-	257.11813	156.1

Literature stripe

literature stripe

Patent stripe

patents stripe