CID 3076596

131961-71-2

Structural Information

Molecular Formula

C₁₉H₂₅NO₂

SMILES

CC1=CC=CC=C1C2=CC=C(C=C2)C(COCCN(C)C)O

InChI

InChI=1S/C19H25NO2/c1-15-6-4-5-7-18(15)16-8-10-17(11-9-16)19(21)14-22-13-12-20(2)3/h4-11,19,21H,12-14H2,1-3H3

InChIKey

FLXYSPXYVNPDAH-UHFFFAOYSA-N

Compound name

2-[2-(dimethylamino)ethoxy]-1-[4-(2-methylphenyl)phenyl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 299.18854 Da
Monoisotopic Mass: 3.0
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]+	300.195816	173.8
[M+Na]+	322.177758	178.5
[M-H]-	298.181264	180.0
[M+NH4]+	317.222363	188.5
[M+K]+	338.151698	175.6
[M+H-H2O]+	282.185800	165.3
[M+HCOO]-	344.186741	195.9
[M+CH3COO]-	358.202391	209.9
[M+Na-2H]-	320.163206	175.6
[M]+	299.18799142	176.3
[M]-	299.18908858	176.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe