CID 697115

5039-15-6

Structural Information

Molecular Formula

C₁₁H₁₂N₂S

SMILES

CCNC1=NC(=CS1)C2=CC=CC=C2

InChI

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

InChIKey

GBPDSPQBKICWRK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 23
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	142.2
[M+Na]+	227.061328	151.0
[M-H]-	203.064834	148.2
[M+NH4]+	222.105933	162.3
[M+K]+	243.035268	146.9
[M+H-H2O]+	187.069370	135.1
[M+HCOO]-	249.070311	163.1
[M+CH3COO]-	263.085961	155.7
[M+Na-2H]-	225.046776	145.9
[M]+	204.07156142	143.7
[M]-	204.07265858	143.7

Literature stripe

literature stripe

Patent stripe

patents stripe