CID 38407

Amidochlor

Structural Information

Molecular Formula

C₁₅H₂₁ClN₂O₂

SMILES

CCC1=C(C(=CC=C1)CC)N(CNC(=O)C)C(=O)CCl

InChI

InChI=1S/C15H21ClN2O2/c1-4-12-7-6-8-13(5-2)15(12)18(14(20)9-16)10-17-11(3)19/h6-8H,4-5,9-10H2,1-3H3,(H,17,19)

InChIKey

QTGVGIVRLSGTJJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 7847
Patents: 296.12915 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]+	297.136426	170.8
[M+Na]+	319.118368	176.8
[M-H]-	295.121874	175.4
[M+NH4]+	314.162973	187.3
[M+K]+	335.092308	173.7
[M+H-H2O]+	279.126410	164.4
[M+HCOO]-	341.127351	190.3
[M+CH3COO]-	355.143001	211.4
[M+Na-2H]-	317.103816	171.2
[M]+	296.12860142	175.6
[M]-	296.12969858	175.6

Literature stripe

literature stripe

Patent stripe

patents stripe