CID 737901

134812-32-1

Structural Information

Molecular Formula

C₁₅H₁₂N₂S

SMILES

C1=CC=C(C=C1)C2=NC(=CS2)C3=CC(=CC=C3)N

InChI

InChI=1S/C15H12N2S/c16-13-8-4-7-12(9-13)14-10-18-15(17-14)11-5-2-1-3-6-11/h1-10H,16H2

InChIKey

YYUPEYOWOHWJFZ-UHFFFAOYSA-N

Compound name

3-(2-phenyl-1,3-thiazol-4-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 252.07211 Da
Monoisotopic Mass: 3.6
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]+	253.079386	154.6
[M+Na]+	275.061328	164.2
[M-H]-	251.064834	163.6
[M+NH4]+	270.105933	172.3
[M+K]+	291.035268	158.0
[M+H-H2O]+	235.069370	146.8
[M+HCOO]-	297.070311	175.2
[M+CH3COO]-	311.085961	167.5
[M+Na-2H]-	273.046776	157.1
[M]+	252.07156142	154.5
[M]-	252.07265858	154.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.