CID 2765799

4-ethyl-n-phenyl-4,5-dihydro-1,3-thiazol-2-amine

Structural Information

Molecular Formula

C₁₁H₁₄N₂S

SMILES

CCC1CSC(=N1)NC2=CC=CC=C2

InChI

InChI=1S/C11H14N2S/c1-2-9-8-14-11(12-9)13-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,12,13)

InChIKey

LOPXTRMPYUWBFN-UHFFFAOYSA-N

Compound name

4-ethyl-N-phenyl-4,5-dihydro-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 206.08777 Da
Monoisotopic Mass: 2.7
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]+	207.095046	143.8
[M+Na]+	229.076988	151.7
[M-H]-	205.080494	149.5
[M+NH4]+	224.121593	163.8
[M+K]+	245.050928	147.9
[M+H-H2O]+	189.085030	136.8
[M+HCOO]-	251.085971	163.4
[M+CH3COO]-	265.101621	156.8
[M+Na-2H]-	227.062436	146.5
[M]+	206.08722142	143.8
[M]-	206.08831858	143.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.