CID 6002626

N-(4-chlorobenzyl)-3-(4-isobutylphenyl)acrylamide

Structural Information

Molecular Formula

C₂₀H₂₂ClNO

SMILES

CC(C)CC1=CC=C(C=C1)/C=C/C(=O)NCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H22ClNO/c1-15(2)13-17-5-3-16(4-6-17)9-12-20(23)22-14-18-7-10-19(21)11-8-18/h3-12,15H,13-14H2,1-2H3,(H,22,23)/b12-9+

InChIKey

ISIQAXMEPJVWRK-FMIVXFBMSA-N

Compound name

(E)-N-[(4-chlorophenyl)methyl]-3-[4-(2-methylpropyl)phenyl]prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 327.13898 Da
Monoisotopic Mass: 5.3
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]+	328.146256	179.9
[M+Na]+	350.128198	185.9
[M-H]-	326.131704	185.9
[M+NH4]+	345.172803	194.5
[M+K]+	366.102138	179.0
[M+H-H2O]+	310.136240	172.4
[M+HCOO]-	372.137181	197.4
[M+CH3COO]-	386.152831	211.6
[M+Na-2H]-	348.113646	180.7
[M]+	327.13843142	182.2
[M]-	327.13952858	182.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.