CID 3070946

87203-70-1

Structural Information

Molecular Formula

C₁₉H₂₅NO₃

SMILES

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

InChI

InChI=1S/C19H25NO3/c1-20(2)17(15-7-9-16(21-3)10-8-15)12-14-6-11-18(22-4)19(13-14)23-5/h6-11,13,17H,12H2,1-5H3

InChIKey

SSKDLSJKGLQUOG-UHFFFAOYSA-N

Compound name

2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-N,N-dimethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 315.18344 Da
Monoisotopic Mass: 3.7
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]+	316.190716	176.4
[M+Na]+	338.172658	182.3
[M-H]-	314.176164	184.4
[M+NH4]+	333.217263	191.4
[M+K]+	354.146598	181.1
[M+H-H2O]+	298.180700	167.6
[M+HCOO]-	360.181641	200.2
[M+CH3COO]-	374.197291	215.7
[M+Na-2H]-	336.158106	178.0
[M]+	315.18289142	182.6
[M]-	315.18398858	182.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe