CID 114378

10565-55-6

Structural Information

Molecular Formula

C₂₁H₂₇NO

SMILES

CC1(C2=CC=CC=C2C(O1)(CCCN(C)C)C3=CC=CC=C3)C

InChI

InChI=1S/C21H27NO/c1-20(2)18-13-8-9-14-19(18)21(23-20,15-10-16-22(3)4)17-11-6-5-7-12-17/h5-9,11-14H,10,15-16H2,1-4H3

InChIKey

JMKKUONSGMKXDD-UHFFFAOYSA-N

Compound name

3-(3,3-dimethyl-1-phenyl-2-benzofuran-1-yl)-N,N-dimethylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 309.20926 Da
Monoisotopic Mass: 4.0
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]+	310.216536	176.1
[M+Na]+	332.198478	183.3
[M-H]-	308.201984	185.5
[M+NH4]+	327.243083	196.8
[M+K]+	348.172418	180.6
[M+H-H2O]+	292.206520	168.6
[M+HCOO]-	354.207461	198.1
[M+CH3COO]-	368.223111	212.4
[M+Na-2H]-	330.183926	180.8
[M]+	309.20871142	179.6
[M]-	309.20980858	179.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.