CID 3015993

Schembl9418469

Structural Information

Molecular Formula

C₂₀H₂₁NO

SMILES

CC1=CC=C(C=C1)C=CC(=O)C=CC2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C20H21NO/c1-16-4-6-17(7-5-16)10-14-20(22)15-11-18-8-12-19(13-9-18)21(2)3/h4-15H,1-3H3

InChIKey

NLERDPHRELGZTH-UHFFFAOYSA-N

Compound name

1-[4-(dimethylamino)phenyl]-5-(4-methylphenyl)penta-1,4-dien-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 291.16232 Da
Monoisotopic Mass: 4.6
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]+	292.169596	171.2
[M+Na]+	314.151538	177.1
[M-H]-	290.155044	178.8
[M+NH4]+	309.196143	186.9
[M+K]+	330.125478	172.4
[M+H-H2O]+	274.159580	162.8
[M+HCOO]-	336.160521	194.9
[M+CH3COO]-	350.176171	209.7
[M+Na-2H]-	312.136986	173.0
[M]+	291.16177142	172.2
[M]-	291.16286858	172.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe