CID 116522

Thiazolamine, n-ethyl-n-phenyl-

Structural Information

Molecular Formula

C₁₁H₁₂N₂S

SMILES

CCN(C1=CC=CC=C1)C2=NC=CS2

InChI

InChI=1S/C11H12N2S/c1-2-13(11-12-8-9-14-11)10-6-4-3-5-7-10/h3-9H,2H2,1H3

InChIKey

OVOQSWSEMQNRNR-UHFFFAOYSA-N

Compound name

N-ethyl-N-phenyl-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 204.07211 Da
Monoisotopic Mass: 3.3
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]+	205.079386	143.0
[M+Na]+	227.061328	151.0
[M-H]-	203.064834	150.2
[M+NH4]+	222.105933	163.4
[M+K]+	243.035268	148.4
[M+H-H2O]+	187.069370	135.5
[M+HCOO]-	249.070311	164.4
[M+CH3COO]-	263.085961	156.7
[M+Na-2H]-	225.046776	146.6
[M]+	204.07156142	145.3
[M]-	204.07265858	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe