CID 96392

29449-91-0

Structural Information

Molecular Formula

C₁₃H₂₃N₃O₂

SMILES

CN(C)CCOC1=NC(=CC=C1)OCCN(C)C

InChI

InChI=1S/C13H23N3O2/c1-15(2)8-10-17-12-6-5-7-13(14-12)18-11-9-16(3)4/h5-7H,8-11H2,1-4H3

InChIKey

RGIHODWAEHCRBV-UHFFFAOYSA-N

Compound name

2-[6-[2-(dimethylamino)ethoxy]pyridin-2-yl]oxy-N,N-dimethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 253.17903 Da
Monoisotopic Mass: 1.5
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]+	254.18631	160.1
[M+Na]+	276.16825	170.3
[M+NH4]+	271.21285	167.1
[M+K]+	292.14219	164.5
[M-H]-	252.17175	162.6
[M+Na-2H]-	274.15370	166.1
[M]+	253.17848	162.0
[M]-	253.17958	162.0

Literature stripe

literature stripe

Patent stripe

patents stripe