CID 3057508

74041-84-2

Structural Information

Molecular Formula

C₂₂H₃₁NO₃

SMILES

COCCC1=CC=C(C=C1)OCC(CNCCCCC2=CC=CC=C2)O

InChI

InChI=1S/C22H31NO3/c1-25-16-14-20-10-12-22(13-11-20)26-18-21(24)17-23-15-6-5-9-19-7-3-2-4-8-19/h2-4,7-8,10-13,21,23-24H,5-6,9,14-18H2,1H3

InChIKey

ZHEZEVMGVOJQFP-UHFFFAOYSA-N

Compound name

1-[4-(2-methoxyethyl)phenoxy]-3-(4-phenylbutylamino)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 357.2304 Da
Monoisotopic Mass: 3.8
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	189.8
[M+Na]+	380.219618	191.8
[M-H]-	356.223124	193.4
[M+NH4]+	375.264223	201.0
[M+K]+	396.193558	187.4
[M+H-H2O]+	340.227660	180.3
[M+HCOO]-	402.228601	210.5
[M+CH3COO]-	416.244251	216.3
[M+Na-2H]-	378.205066	191.6
[M]+	357.22985142	193.0
[M]-	357.23094858	193.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe