CID 20344981

4-phenyl-2-(m-tolyl)thiazole

Structural Information

Molecular Formula

C₁₆H₁₃NS

SMILES

CC1=CC(=CC=C1)C2=NC(=CS2)C3=CC=CC=C3

InChI

InChI=1S/C16H13NS/c1-12-6-5-9-14(10-12)16-17-15(11-18-16)13-7-3-2-4-8-13/h2-11H,1H3

InChIKey

QTYZJFDPFQNIML-UHFFFAOYSA-N

Compound name

2-(3-methylphenyl)-4-phenyl-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 251.07687 Da
Monoisotopic Mass: 4.6
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]+	252.08415	155.3
[M+Na]+	274.06609	165.4
[M-H]-	250.06959	164.8
[M+NH4]+	269.11069	173.8
[M+K]+	290.04003	159.6
[M+H-H2O]+	234.07413	147.7
[M+HCOO]-	296.07507	175.3
[M+CH3COO]-	310.09072	168.7
[M+Na-2H]-	272.05154	157.5
[M]+	251.07632	157.2
[M]-	251.07742	157.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe