CID 139595074

Pencycuron-ketone

Structural Information

Molecular Formula

C₁₉H₁₉ClN₂O₂

SMILES

C1CCC(C1)N(C(=O)C2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C19H19ClN2O2/c20-15-12-10-14(11-13-15)18(23)22(17-8-4-5-9-17)19(24)21-16-6-2-1-3-7-16/h1-3,6-7,10-13,17H,4-5,8-9H2,(H,21,24)

InChIKey

GJHJWPXUSIMGEF-UHFFFAOYSA-N

Compound name

4-chloro-N-cyclopentyl-N-(phenylcarbamoyl)benzamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 2
Patents: 342.1135 Da
Monoisotopic Mass: 5.0
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]+	343.12078	181.9
[M+Na]+	365.10272	185.6
[M-H]-	341.10622	192.1
[M+NH4]+	360.14732	196.9
[M+K]+	381.07666	181.1
[M+H-H2O]+	325.11076	173.5
[M+HCOO]-	387.11170	200.7
[M+CH3COO]-	401.12735	213.6
[M+Na-2H]-	363.08817	181.7
[M]+	342.11295	180.8
[M]-	342.11405	180.8

Literature stripe

literature stripe

Patent stripe

patents stripe