CID 6051836

297145-76-7

Structural Information

Molecular Formula

C₂₂H₂₄N₂O₂

SMILES

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

InChI

InChI=1S/C22H24N2O2/c1-16(2)23-22(26)20(11-7-10-18-8-5-4-6-9-18)24-21(25)19-14-12-17(3)13-15-19/h4-16H,1-3H3,(H,23,26)(H,24,25)/b10-7-,20-11+

InChIKey

HKFUSQHYCPNOOY-HLLJFSTMSA-N

Compound name

4-methyl-N-[(2E,4Z)-1-oxo-5-phenyl-1-(propan-2-ylamino)penta-2,4-dien-2-yl]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 348.18378 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]+	349.191056	188.0
[M+Na]+	371.172998	190.4
[M-H]-	347.176504	193.5
[M+NH4]+	366.217603	199.7
[M+K]+	387.146938	185.6
[M+H-H2O]+	331.181040	179.0
[M+HCOO]-	393.181981	208.9
[M+CH3COO]-	407.197631	218.8
[M+Na-2H]-	369.158446	186.9
[M]+	348.18323142	186.0
[M]-	348.18432858	186.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.