CID 6447799

Cinnamamide, n-(2-(diethylamino)ethyl)-n-(2-pyridylmethyl)-, dihydrochloride

Structural Information

Molecular Formula

C₂₁H₂₇N₃O

SMILES

CCN(CC)CCN(CC1=CC=CC=N1)C(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H27N3O/c1-3-23(4-2)16-17-24(18-20-12-8-9-15-22-20)21(25)14-13-19-10-6-5-7-11-19/h5-15H,3-4,16-18H2,1-2H3/b14-13+

InChIKey

UFNTUAACAMHDIO-BUHFOSPRSA-N

Compound name

(E)-N-[2-(diethylamino)ethyl]-3-phenyl-N-(pyridin-2-ylmethyl)prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 337.21542 Da
Monoisotopic Mass: 3.0
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]+	338.222696	186.0
[M+Na]+	360.204638	188.4
[M-H]-	336.208144	192.4
[M+NH4]+	355.249243	198.1
[M+K]+	376.178578	185.1
[M+H-H2O]+	320.212680	175.1
[M+HCOO]-	382.213621	209.3
[M+CH3COO]-	396.229271	222.0
[M+Na-2H]-	358.190086	188.5
[M]+	337.21487142	188.3
[M]-	337.21596858	188.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.