CID 133052764

Dtxsid20891578

Structural Information

Molecular Formula

C₁₇H₂₁N₃O₂

SMILES

CN(CCN(CC1=CC=C(C=C1)OC)C2=CC=CC=N2)C=O

InChI

InChI=1S/C17H21N3O2/c1-19(14-21)11-12-20(17-5-3-4-10-18-17)13-15-6-8-16(22-2)9-7-15/h3-10,14H,11-13H2,1-2H3

InChIKey

AGBYYCMLOLWSPS-UHFFFAOYSA-N

Compound name

N-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]-N-methylformamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 299.1634 Da
Monoisotopic Mass: 2.7
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]+	300.170676	171.1
[M+Na]+	322.152618	175.9
[M-H]-	298.156124	178.5
[M+NH4]+	317.197223	185.0
[M+K]+	338.126558	174.3
[M+H-H2O]+	282.160660	160.8
[M+HCOO]-	344.161601	196.8
[M+CH3COO]-	358.177251	214.6
[M+Na-2H]-	320.138066	176.3
[M]+	299.16285142	175.3
[M]-	299.16394858	175.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.