CID 120810

850-67-9

Structural Information

Molecular Formula

C₂₁H₂₁NO

SMILES

C1=CC=C(C=C1)C(CC(C2=CC=CC=C2)(C3=CC=CC=C3)O)N

InChI

InChI=1S/C21H21NO/c22-20(17-10-4-1-5-11-17)16-21(23,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20,23H,16,22H2

InChIKey

MYKUUOGRLSMSGH-UHFFFAOYSA-N

Compound name

3-amino-1,1,3-triphenylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 303.16232 Da
Monoisotopic Mass: 3.5
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]+	304.169596	172.7
[M+Na]+	326.151538	176.3
[M-H]-	302.155044	179.6
[M+NH4]+	321.196143	185.2
[M+K]+	342.125478	170.4
[M+H-H2O]+	286.159580	163.9
[M+HCOO]-	348.160521	192.4
[M+CH3COO]-	362.176171	204.1
[M+Na-2H]-	324.136986	178.1
[M]+	303.16177142	168.2
[M]-	303.16286858	168.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.