CID 17730780

366828-38-8

Structural Information

Molecular Formula

C₂₃H₂₁ClN₂O₄

SMILES

COC1=CC=CC=C1OCC(=O)N/N=C/C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H21ClN2O4/c1-28-21-4-2-3-5-22(21)30-16-23(27)26-25-14-17-8-12-20(13-9-17)29-15-18-6-10-19(24)11-7-18/h2-14H,15-16H2,1H3,(H,26,27)/b25-14+

InChIKey

OHPQOZMRUNHQSR-AFUMVMLFSA-N

Compound name

N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2-methoxyphenoxy)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 424.119 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]+	425.126276	200.7
[M+Na]+	447.108218	206.6
[M-H]-	423.111724	211.1
[M+NH4]+	442.152823	210.9
[M+K]+	463.082158	201.4
[M+H-H2O]+	407.116260	190.1
[M+HCOO]-	469.117201	222.3
[M+CH3COO]-	483.132851	230.5
[M+Na-2H]-	445.093666	203.9
[M]+	424.11845142	207.6
[M]-	424.11954858	207.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.