CID 68466

Buclosamide

Structural Information

Molecular Formula

C₁₁H₁₄ClNO₂

SMILES

CCCCNC(=O)C1=C(C=C(C=C1)Cl)O

InChI

InChI=1S/C11H14ClNO2/c1-2-3-6-13-11(15)9-5-4-8(12)7-10(9)14/h4-5,7,14H,2-3,6H2,1H3,(H,13,15)

InChIKey

ZGJHIFYEQJEUKA-UHFFFAOYSA-N

Compound name

N-butyl-4-chloro-2-hydroxybenzamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 4
References: 1967
Patents: 227.0713 Da
Monoisotopic Mass: 3.3
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]+	228.07858	148.8
[M+Na]+	250.06052	156.8
[M-H]-	226.06402	151.2
[M+NH4]+	245.10512	167.3
[M+K]+	266.03446	152.4
[M+H-H2O]+	210.06856	143.9
[M+HCOO]-	272.06950	167.4
[M+CH3COO]-	286.08515	189.1
[M+Na-2H]-	248.04597	152.6
[M]+	227.07075	151.1
[M]-	227.07185	151.1

Literature stripe

literature stripe

Patent stripe

patents stripe