CID 166295

72734-63-5

Structural Information

Molecular Formula

C₂₀H₂₇NO₃

SMILES

CC(C)(CCC1=CC=CC=C1OC)NCC(C2=CC=C(C=C2)O)O

InChI

InChI=1S/C20H27NO3/c1-20(2,13-12-16-6-4-5-7-19(16)24-3)21-14-18(23)15-8-10-17(22)11-9-15/h4-11,18,21-23H,12-14H2,1-3H3

InChIKey

QQNHGKXYJUREIZ-UHFFFAOYSA-N

Compound name

4-[1-hydroxy-2-[[4-(2-methoxyphenyl)-2-methylbutan-2-yl]amino]ethyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 13
Patents: 329.1991 Da
Monoisotopic Mass: 3.2
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]+	330.206376	181.1
[M+Na]+	352.188318	184.9
[M-H]-	328.191824	184.5
[M+NH4]+	347.232923	193.2
[M+K]+	368.162258	180.9
[M+H-H2O]+	312.196360	173.2
[M+HCOO]-	374.197301	199.4
[M+CH3COO]-	388.212951	209.8
[M+Na-2H]-	350.173766	183.6
[M]+	329.19855142	181.7
[M]-	329.19964858	181.7

Literature stripe

literature stripe

Patent stripe

patents stripe