CID 60724928

1-(4-chlorophenyl)-2-{[(4-methoxyphenyl)methyl]amino}ethan-1-ol

Structural Information

Molecular Formula

C₁₆H₁₈ClNO₂

SMILES

COC1=CC=C(C=C1)CNCC(C2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C16H18ClNO2/c1-20-15-8-2-12(3-9-15)10-18-11-16(19)13-4-6-14(17)7-5-13/h2-9,16,18-19H,10-11H2,1H3

InChIKey

ZRNZAZOSGWWDCY-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 291.1026 Da
Monoisotopic Mass: 2.7
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]+	292.109876	166.1
[M+Na]+	314.091818	172.8
[M-H]-	290.095324	171.1
[M+NH4]+	309.136423	181.4
[M+K]+	330.065758	167.3
[M+H-H2O]+	274.099860	159.2
[M+HCOO]-	336.100801	184.2
[M+CH3COO]-	350.116451	201.3
[M+Na-2H]-	312.077266	169.8
[M]+	291.10205142	168.6
[M]-	291.10314858	168.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe