CID 3039270

Methanol, (2,4-dichlorophenyl)(p-2-morpholinoethoxy)-, hydrochloride

Structural Information

Molecular Formula

C₁₉H₂₁Cl₂NO₃

SMILES

C1COCCN1CCOC2=CC=C(C=C2)C(C3=C(C=C(C=C3)Cl)Cl)O

InChI

InChI=1S/C19H21Cl2NO3/c20-15-3-6-17(18(21)13-15)19(23)14-1-4-16(5-2-14)25-12-9-22-7-10-24-11-8-22/h1-6,13,19,23H,7-12H2

InChIKey

LJRFOTSQJALCEP-UHFFFAOYSA-N

Compound name

(2,4-dichlorophenyl)-[4-(2-morpholin-4-ylethoxy)phenyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 381.08984 Da
Monoisotopic Mass: 3.6
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]+	382.097116	186.4
[M+Na]+	404.079058	192.0
[M-H]-	380.082564	192.2
[M+NH4]+	399.123663	195.6
[M+K]+	420.052998	186.7
[M+H-H2O]+	364.087100	177.5
[M+HCOO]-	426.088041	192.3
[M+CH3COO]-	440.103691	194.7
[M+Na-2H]-	402.064506	187.0
[M]+	381.08929142	188.1
[M]-	381.09038858	188.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.