CID 3069329

Cor 28 09

Structural Information

Molecular Formula

C₂₂H₃₁NO₃

SMILES

CC1=CC(=C(C=C1OC)C(C)C)OCCN(C)CCOC2=CC=CC=C2

InChI

InChI=1S/C22H31NO3/c1-17(2)20-16-21(24-5)18(3)15-22(20)26-14-12-23(4)11-13-25-19-9-7-6-8-10-19/h6-10,15-17H,11-14H2,1-5H3

InChIKey

FLUQMOUODJZJRS-UHFFFAOYSA-N

Compound name

N-[2-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)ethyl]-N-methyl-2-phenoxyethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 357.2304 Da
Monoisotopic Mass: 5.1
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]+	358.237676	190.5
[M+Na]+	380.219618	195.0
[M-H]-	356.223124	197.8
[M+NH4]+	375.264223	203.7
[M+K]+	396.193558	193.0
[M+H-H2O]+	340.227660	181.0
[M+HCOO]-	402.228601	213.2
[M+CH3COO]-	416.244251	224.5
[M+Na-2H]-	378.205066	190.4
[M]+	357.22985142	197.7
[M]-	357.23094858	197.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe