CID 6163636

2',4'-dimethyl-4-(dimethylamino)-chalcone

Structural Information

Molecular Formula

C₁₉H₂₁NO

SMILES

CC1=CC(=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)N(C)C)C

InChI

InChI=1S/C19H21NO/c1-14-5-11-18(15(2)13-14)19(21)12-8-16-6-9-17(10-7-16)20(3)4/h5-13H,1-4H3/b12-8+

InChIKey

AUSURPUVSAOBGD-XYOKQWHBSA-N

Compound name

(E)-3-[4-(dimethylamino)phenyl]-1-(2,4-dimethylphenyl)prop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 279.16232 Da
Monoisotopic Mass: 4.5
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]+	280.169596	166.9
[M+Na]+	302.151538	173.9
[M-H]-	278.155044	175.1
[M+NH4]+	297.196143	183.6
[M+K]+	318.125478	170.1
[M+H-H2O]+	262.159580	158.9
[M+HCOO]-	324.160521	190.8
[M+CH3COO]-	338.176171	209.4
[M+Na-2H]-	300.136986	168.6
[M]+	279.16177142	168.9
[M]-	279.16286858	168.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe