CID 215042

34789-83-8

Structural Information

Molecular Formula

C₂₂H₂₅Cl₂NO₅

SMILES

CC(C)(C(=O)NCCOC(=O)C(C)(C)OC1=CC=C(C=C1)Cl)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C22H25Cl2NO5/c1-21(2,29-17-9-5-15(23)6-10-17)19(26)25-13-14-28-20(27)22(3,4)30-18-11-7-16(24)8-12-18/h5-12H,13-14H2,1-4H3,(H,25,26)

InChIKey

AWMUOENWEADMKR-UHFFFAOYSA-N

Compound name

2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]ethyl 2-(4-chlorophenoxy)-2-methylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 453.111 Da
Monoisotopic Mass: 5.3
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]+	454.118276	202.9
[M+Na]+	476.100218	208.6
[M-H]-	452.103724	208.9
[M+NH4]+	471.144823	212.9
[M+K]+	492.074158	204.3
[M+H-H2O]+	436.108260	196.2
[M+HCOO]-	498.109201	212.6
[M+CH3COO]-	512.124851	230.3
[M+Na-2H]-	474.085666	205.0
[M]+	453.11045142	212.1
[M]-	453.11154858	212.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.