CID 114994

Halofenozide

Structural Information

Molecular Formula

C₁₈H₁₉ClN₂O₂

SMILES

CC(C)(C)N(C(=O)C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H19ClN2O2/c1-18(2,3)21(17(23)14-7-5-4-6-8-14)20-16(22)13-9-11-15(19)12-10-13/h4-12H,1-3H3,(H,20,22)

InChIKey

CNKHSLKYRMDDNQ-UHFFFAOYSA-N

Compound name

N'-benzoyl-N'-tert-butyl-4-chlorobenzohydrazide

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 51
References: 28559
Patents: 330.1135 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]+	331.120776	177.7
[M+Na]+	353.102718	183.3
[M-H]-	329.106224	185.5
[M+NH4]+	348.147323	192.3
[M+K]+	369.076658	179.6
[M+H-H2O]+	313.110760	170.3
[M+HCOO]-	375.111701	196.1
[M+CH3COO]-	389.127351	213.9
[M+Na-2H]-	351.088166	180.9
[M]+	330.11295142	180.3
[M]-	330.11404858	180.3

Literature stripe

literature stripe

Patent stripe

patents stripe