CID 3066111

109523-88-8

Structural Information

Molecular Formula

C₁₇H₂₀ClNO

SMILES

CN(C)CCOCC1=CC=C(C=C1)C2=CC=CC=C2Cl

InChI

InChI=1S/C17H20ClNO/c1-19(2)11-12-20-13-14-7-9-15(10-8-14)16-5-3-4-6-17(16)18/h3-10H,11-13H2,1-2H3

InChIKey

UPOWQVYUIAJWHF-UHFFFAOYSA-N

Compound name

2-[[4-(2-chlorophenyl)phenyl]methoxy]-N,N-dimethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 289.12335 Da
Monoisotopic Mass: 4.2
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]+	290.130626	167.8
[M+Na]+	312.112568	175.0
[M-H]-	288.116074	175.4
[M+NH4]+	307.157173	184.7
[M+K]+	328.086508	170.4
[M+H-H2O]+	272.120610	160.1
[M+HCOO]-	334.121551	188.3
[M+CH3COO]-	348.137201	207.3
[M+Na-2H]-	310.098016	171.8
[M]+	289.12280142	172.9
[M]-	289.12389858	172.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe