CID 340698

149860-22-0

Structural Information

Molecular Formula

C₁₄H₁₇N₃O

SMILES

C1=CC=NC(=C1)CN(CCO)CC2=CC=CC=N2

InChI

InChI=1S/C14H17N3O/c18-10-9-17(11-13-5-1-3-7-15-13)12-14-6-2-4-8-16-14/h1-8,18H,9-12H2

InChIKey

DUFCPZLMEULRED-UHFFFAOYSA-N

Compound name

2-[bis(pyridin-2-ylmethyl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 32
Patents: 243.13716 Da
Monoisotopic Mass: 0.5
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]+	244.14444	156.6
[M+Na]+	266.12638	170.0
[M+NH4]+	261.17098	164.3
[M+K]+	282.10032	162.4
[M-H]-	242.12988	160.5
[M+Na-2H]-	264.11183	166.3
[M]+	243.13661	159.5
[M]-	243.13771	159.5

Literature stripe

literature stripe

Patent stripe

patents stripe