CID 9927

Nsc 400913

Structural Information

Molecular Formula

C₁₉H₁₉NO

SMILES

CN(C)CC1=C(OC(=C1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H19NO/c1-20(2)14-17-13-18(15-9-5-3-6-10-15)21-19(17)16-11-7-4-8-12-16/h3-13H,14H2,1-2H3

InChIKey

IAIFBWWPNUFAQI-UHFFFAOYSA-N

Compound name

1-(2,5-diphenylfuran-3-yl)-N,N-dimethylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 277.14667 Da
Monoisotopic Mass: 4.1
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]+	278.153946	166.0
[M+Na]+	300.135888	173.0
[M-H]-	276.139394	178.0
[M+NH4]+	295.180493	182.6
[M+K]+	316.109828	170.3
[M+H-H2O]+	260.143930	157.6
[M+HCOO]-	322.144871	191.7
[M+CH3COO]-	336.160521	179.0
[M+Na-2H]-	298.121336	170.0
[M]+	277.14612142	168.4
[M]-	277.14721858	168.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.