CID 44146292

93144-07-1

Structural Information

Molecular Formula

C₁₆H₂₈N₂O₂

SMILES

CCOCCNCC1=CC=C(C=C1)CNCCOCC

InChI

InChI=1S/C16H28N2O2/c1-3-19-11-9-17-13-15-5-7-16(8-6-15)14-18-10-12-20-4-2/h5-8,17-18H,3-4,9-14H2,1-2H3

InChIKey

PXNFRRGZKFZDOU-UHFFFAOYSA-N

Compound name

2-ethoxy-N-[[4-[(2-ethoxyethylamino)methyl]phenyl]methyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4
Patents: 280.2151 Da
Monoisotopic Mass: 1.1
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]+	281.222376	168.9
[M+Na]+	303.204318	172.3
[M-H]-	279.207824	171.2
[M+NH4]+	298.248923	184.3
[M+K]+	319.178258	169.6
[M+H-H2O]+	263.212360	160.7
[M+HCOO]-	325.213301	193.6
[M+CH3COO]-	339.228951	207.5
[M+Na-2H]-	301.189766	173.3
[M]+	280.21455142	173.1
[M]-	280.21564858	173.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe