CID 66690

92-02-4

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₃

SMILES

CC(=O)NC1=CC(=CC=C1)N(CCO)CCO

InChI

InChI=1S/C12H18N2O3/c1-10(17)13-11-3-2-4-12(9-11)14(5-7-15)6-8-16/h2-4,9,15-16H,5-8H2,1H3,(H,13,17)

InChIKey

BPAFLIGSSPTQHU-UHFFFAOYSA-N

Compound name

N-[3-[bis(2-hydroxyethyl)amino]phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 99
Patents: 238.13174 Da
Monoisotopic Mass: -0.1
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]+	239.13902	155.3
[M+Na]+	261.12096	163.8
[M+NH4]+	256.16556	161.3
[M+K]+	277.09490	159.4
[M-H]-	237.12446	156.3
[M+Na-2H]-	259.10641	159.5
[M]+	238.13119	156.3
[M]-	238.13229	156.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe