CID 91644

Pretilachlor

Structural Information

Molecular Formula

C₁₇H₂₆ClNO₂

SMILES

CCCOCCN(C1=C(C=CC=C1CC)CC)C(=O)CCl

InChI

InChI=1S/C17H26ClNO2/c1-4-11-21-12-10-19(16(20)13-18)17-14(5-2)8-7-9-15(17)6-3/h7-9H,4-6,10-13H2,1-3H3

InChIKey

YLPGTOIOYRQOHV-UHFFFAOYSA-N

Compound name

2-chloro-N-(2,6-diethylphenyl)-N-(2-propoxyethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 68
References: 28802
Patents: 311.1652 Da
Monoisotopic Mass: 4.1
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]+	312.17248	176.2
[M+Na]+	334.15442	182.2
[M-H]-	310.15792	180.4
[M+NH4]+	329.19902	192.6
[M+K]+	350.12836	178.5
[M+H-H2O]+	294.16246	169.6
[M+HCOO]-	356.16340	194.7
[M+CH3COO]-	370.17905	213.0
[M+Na-2H]-	332.13987	176.5
[M]+	311.16465	183.9
[M]-	311.16575	183.9

Literature stripe

literature stripe

Patent stripe

patents stripe