CID 71488522

Mefuparib hydrochloride

Structural Information

Molecular Formula

C₁₇H₁₅FN₂O₂

SMILES

CNCC1=CC=C(C=C1)C2=CC3=CC(=CC(=C3O2)C(=O)N)F

InChI

InChI=1S/C17H15FN2O2/c1-20-9-10-2-4-11(5-3-10)15-7-12-6-13(18)8-14(17(19)21)16(12)22-15/h2-8,20H,9H2,1H3,(H2,19,21)

InChIKey

ROBJKLPZIPNAMV-UHFFFAOYSA-N

Compound name

5-fluoro-2-[4-(methylaminomethyl)phenyl]-1-benzofuran-7-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 137
Patents: 298.11176 Da
Monoisotopic Mass: 2.3
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]+	299.119036	167.6
[M+Na]+	321.100978	177.3
[M-H]-	297.104484	175.4
[M+NH4]+	316.145583	183.9
[M+K]+	337.074918	173.1
[M+H-H2O]+	281.109020	159.4
[M+HCOO]-	343.109961	192.0
[M+CH3COO]-	357.125611	209.3
[M+Na-2H]-	319.086426	171.4
[M]+	298.11121142	169.2
[M]-	298.11230858	169.2

Literature stripe

literature stripe

Patent stripe

patents stripe