CID 54471

Fengabine

Structural Information

Molecular Formula

C₁₇H₁₇Cl₂NO

SMILES

CCCCN=C(C1=CC=CC=C1Cl)C2=C(C=CC(=C2)Cl)O

InChI

InChI=1S/C17H17Cl2NO/c1-2-3-10-20-17(13-6-4-5-7-15(13)19)14-11-12(18)8-9-16(14)21/h4-9,11,21H,2-3,10H2,1H3

InChIKey

ZGLIFVFRIOKQLE-UHFFFAOYSA-N

Compound name

2-[N-butyl-C-(2-chlorophenyl)carbonimidoyl]-4-chlorophenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 997
Patents: 321.06873 Da
Monoisotopic Mass: 5.5
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]+	322.07601	172.9
[M+Na]+	344.05795	181.5
[M-H]-	320.06145	178.8
[M+NH4]+	339.10255	188.6
[M+K]+	360.03189	174.1
[M+H-H2O]+	304.06599	166.7
[M+HCOO]-	366.06693	187.1
[M+CH3COO]-	380.08258	208.6
[M+Na-2H]-	342.04340	175.0
[M]+	321.06818	177.2
[M]-	321.06928	177.2

Literature stripe

literature stripe

Patent stripe

patents stripe