CID 3002818

Chembl327630

Structural Information

Molecular Formula

C₂₀H₂₁ClN₂O₂

SMILES

CCN(CC)C(=O)/C(=C(/C1=CC=CC=C1)\Cl)/NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H21ClN2O2/c1-3-23(4-2)20(25)18(17(21)15-11-7-5-8-12-15)22-19(24)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3,(H,22,24)/b18-17+

InChIKey

BXWKSHMWRTWJGG-ISLYRVAYSA-N

Compound name

N-[(E)-1-chloro-3-(diethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 356.12915 Da
Monoisotopic Mass: 4.0
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]+	357.136426	186.4
[M+Na]+	379.118368	189.4
[M-H]-	355.121874	193.2
[M+NH4]+	374.162973	199.1
[M+K]+	395.092308	185.1
[M+H-H2O]+	339.126410	178.2
[M+HCOO]-	401.127351	203.9
[M+CH3COO]-	415.143001	219.9
[M+Na-2H]-	377.103816	186.0
[M]+	356.12860142	188.0
[M]-	356.12969858	188.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.