CID 68684

Clanfenur

Structural Information

Molecular Formula

C₁₆H₁₅ClFN₃O₂

SMILES

CN(C)C1=C(C(=CC=C1)F)C(=O)NC(=O)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H15ClFN3O2/c1-21(2)13-5-3-4-12(18)14(13)15(22)20-16(23)19-11-8-6-10(17)7-9-11/h3-9H,1-2H3,(H2,19,20,22,23)

InChIKey

SRLPZQAEBMZCIJ-UHFFFAOYSA-N

Compound name

N-[(4-chlorophenyl)carbamoyl]-2-(dimethylamino)-6-fluorobenzamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 10
References: 1639
Patents: 335.08368 Da
Monoisotopic Mass: 3.9
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]+	336.090956	176.2
[M+Na]+	358.072898	183.2
[M-H]-	334.076404	183.3
[M+NH4]+	353.117503	190.6
[M+K]+	374.046838	179.2
[M+H-H2O]+	318.080940	167.7
[M+HCOO]-	380.081881	196.8
[M+CH3COO]-	394.097531	218.5
[M+Na-2H]-	356.058346	177.9
[M]+	335.08313142	177.7
[M]-	335.08422858	177.7

Literature stripe

literature stripe

Patent stripe

patents stripe