CID 21301195

103671-44-9

Structural Information

Molecular Formula

C₁₅H₂₅NO₄

SMILES

CC1=CC=C(C=C1)N(CCOCCO)CCOCCO

InChI

InChI=1S/C15H25NO4/c1-14-2-4-15(5-3-14)16(6-10-19-12-8-17)7-11-20-13-9-18/h2-5,17-18H,6-13H2,1H3

InChIKey

VRPLWSUMHMEHPT-UHFFFAOYSA-N

Compound name

2-[2-[N-[2-(2-hydroxyethoxy)ethyl]-4-methylanilino]ethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 283.17834 Da
Monoisotopic Mass: 0.7
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]+	284.185616	168.0
[M+Na]+	306.167558	171.7
[M-H]-	282.171064	169.2
[M+NH4]+	301.212163	182.7
[M+K]+	322.141498	170.1
[M+H-H2O]+	266.175600	160.3
[M+HCOO]-	328.176541	189.8
[M+CH3COO]-	342.192191	201.8
[M+Na-2H]-	304.153006	170.8
[M]+	283.17779142	172.8
[M]-	283.17888858	172.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe