CID 3018611

75654-98-7

Structural Information

Molecular Formula

C₁₃H₁₆N₂S

SMILES

CCN(CC)C1=NC(=CS1)C2=CC=CC=C2

InChI

InChI=1S/C13H16N2S/c1-3-15(4-2)13-14-12(10-16-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3

InChIKey

KORHRZLLIUEBSB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 232.10342 Da
Monoisotopic Mass: 3.8
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]+	233.110696	151.9
[M+Na]+	255.092638	159.9
[M-H]-	231.096144	159.1
[M+NH4]+	250.137243	171.5
[M+K]+	271.066578	156.8
[M+H-H2O]+	215.100680	144.2
[M+HCOO]-	277.101621	172.6
[M+CH3COO]-	291.117271	194.7
[M+Na-2H]-	253.078086	153.8
[M]+	232.10287142	155.3
[M]-	232.10396858	155.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe