CID 118796522

2c-e-nbome

Structural Information

Molecular Formula

C₂₀H₂₇NO₃

SMILES

CCC1=CC(=C(C=C1OC)CCNCC2=CC=CC=C2OC)OC

InChI

InChI=1S/C20H27NO3/c1-5-15-12-20(24-4)16(13-19(15)23-3)10-11-21-14-17-8-6-7-9-18(17)22-2/h6-9,12-13,21H,5,10-11,14H2,1-4H3

InChIKey

PXDVGFGXPVCNAB-UHFFFAOYSA-N

Compound name

2-(4-ethyl-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 69
Patents: 329.1991 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]+	330.206376	180.7
[M+Na]+	352.188318	187.2
[M-H]-	328.191824	187.2
[M+NH4]+	347.232923	194.8
[M+K]+	368.162258	183.7
[M+H-H2O]+	312.196360	171.8
[M+HCOO]-	374.197301	204.6
[M+CH3COO]-	388.212951	215.7
[M+Na-2H]-	350.173766	182.9
[M]+	329.19855142	186.9
[M]-	329.19964858	186.9

Literature stripe

literature stripe

Patent stripe

patents stripe