CID 44115

Progabide

Structural Information

Molecular Formula

C₁₇H₁₆ClFN₂O₂

SMILES

C1=CC(=CC=C1C(=NCCCC(=O)N)C2=C(C=CC(=C2)F)O)Cl

InChI

InChI=1S/C17H16ClFN2O2/c18-12-5-3-11(4-6-12)17(21-9-1-2-16(20)23)14-10-13(19)7-8-15(14)22/h3-8,10,22H,1-2,9H2,(H2,20,23)

InChIKey

IBALRBWGSVJPAP-UHFFFAOYSA-N

Compound name

4-[[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methylidene]amino]butanamide

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 197
References: 5661
Patents: 334.08844 Da
Monoisotopic Mass: 3.0
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]+	335.09572	176.3
[M+Na]+	357.07766	183.5
[M-H]-	333.08116	181.2
[M+NH4]+	352.12226	190.1
[M+K]+	373.05160	177.3
[M+H-H2O]+	317.08570	168.1
[M+HCOO]-	379.08664	194.4
[M+CH3COO]-	393.10229	213.8
[M+Na-2H]-	355.06311	176.8
[M]+	334.08789	176.7
[M]-	334.08899	176.7

Literature stripe

literature stripe

Patent stripe

patents stripe