CID 22657

N,n-dibenzylethanolamine

Structural Information

Molecular Formula

C₁₆H₁₉NO

SMILES

C1=CC=C(C=C1)CN(CCO)CC2=CC=CC=C2

InChI

InChI=1S/C16H19NO/c18-12-11-17(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10,18H,11-14H2

InChIKey

WTTWSMJHJFNCQB-UHFFFAOYSA-N

Compound name

2-(dibenzylamino)ethanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 1179
Patents: 241.14667 Da
Monoisotopic Mass: 2.6
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]+	242.153946	156.5
[M+Na]+	264.135888	161.1
[M-H]-	240.139394	162.4
[M+NH4]+	259.180493	173.1
[M+K]+	280.109828	157.6
[M+H-H2O]+	224.143930	148.4
[M+HCOO]-	286.144871	180.5
[M+CH3COO]-	300.160521	195.8
[M+Na-2H]-	262.121336	162.7
[M]+	241.14612142	156.3
[M]-	241.14721858	156.3

Literature stripe

literature stripe

Patent stripe

patents stripe