CID 43036

59512-29-7

Structural Information

Molecular Formula

C₁₉H₂₃NO

SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C19H23NO/c1-14(2)13-16-9-11-17(12-10-16)15(3)19(21)20-18-7-5-4-6-8-18/h4-12,14-15H,13H2,1-3H3,(H,20,21)

InChIKey

UHKIXOMKDZNTLI-UHFFFAOYSA-N

Compound name

2-[4-(2-methylpropyl)phenyl]-N-phenylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 281.17798 Da
Monoisotopic Mass: 4.9
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]+	282.185256	169.8
[M+Na]+	304.167198	173.8
[M-H]-	280.170704	175.8
[M+NH4]+	299.211803	184.9
[M+K]+	320.141138	170.1
[M+H-H2O]+	264.175240	161.6
[M+HCOO]-	326.176181	190.9
[M+CH3COO]-	340.191831	206.1
[M+Na-2H]-	302.152646	171.1
[M]+	281.17743142	169.1
[M]-	281.17852858	169.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe