CID 150069746

2361138-33-0

Structural Information

Molecular Formula

C₂₂H₂₀ClNO₃

SMILES

COC1=CC=C(C=C1)OC2=CC=C(C=C2)N(CC3=CC=CC=C3)C(=O)CCl

InChI

InChI=1S/C22H20ClNO3/c1-26-19-11-13-21(14-12-19)27-20-9-7-18(8-10-20)24(22(25)15-23)16-17-5-3-2-4-6-17/h2-14H,15-16H2,1H3

InChIKey

DPADEQNOMBTITM-UHFFFAOYSA-N

Compound name

N-benzyl-2-chloro-N-[4-(4-methoxyphenoxy)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 25
Patents: 381.11316 Da
Monoisotopic Mass: 4.9
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]+	382.12044	190.4
[M+Na]+	404.10238	196.3
[M-H]-	380.10588	200.7
[M+NH4]+	399.14698	202.5
[M+K]+	420.07632	191.5
[M+H-H2O]+	364.11042	180.5
[M+HCOO]-	426.11136	209.9
[M+CH3COO]-	440.12701	221.4
[M+Na-2H]-	402.08783	193.0
[M]+	381.11261	196.0
[M]-	381.11371	196.0

Literature stripe

literature stripe

Patent stripe

patents stripe