CID 6445977

Acetamide, n-(4-(2-(4,5-dihydro-4,4-dimethyl-2-thiazolyl)ethenyl)phenyl)-

Structural Information

Molecular Formula

C₁₅H₁₈N₂OS

SMILES

CC(=O)NC1=CC=C(C=C1)/C=C/C2=NC(CS2)(C)C

InChI

InChI=1S/C15H18N2OS/c1-11(18)16-13-7-4-12(5-8-13)6-9-14-17-15(2,3)10-19-14/h4-9H,10H2,1-3H3,(H,16,18)/b9-6+

InChIKey

LSHBKSKITSQSLT-RMKNXTFCSA-N

Compound name

N-[4-[(E)-2-(4,4-dimethyl-5H-1,3-thiazol-2-yl)ethenyl]phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 274.11398 Da
Monoisotopic Mass: 2.2
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]+	275.121256	163.1
[M+Na]+	297.103198	171.0
[M-H]-	273.106704	168.8
[M+NH4]+	292.147803	182.4
[M+K]+	313.077138	166.3
[M+H-H2O]+	257.111240	156.5
[M+HCOO]-	319.112181	180.8
[M+CH3COO]-	333.127831	198.1
[M+Na-2H]-	295.088646	163.6
[M]+	274.11343142	164.6
[M]-	274.11452858	164.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.