CID 4456143

108237-91-8

Structural Information

Molecular Formula

C₁₅H₁₁BrN₂S

SMILES

C1=CC=C(C=C1)C2=CSC(=N2)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C15H11BrN2S/c16-12-6-8-13(9-7-12)17-15-18-14(10-19-15)11-4-2-1-3-5-11/h1-10H,(H,17,18)

InChIKey

OUFYYVAASPLOAA-UHFFFAOYSA-N

Compound name

N-(4-bromophenyl)-4-phenyl-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 60
Patents: 329.98264 Da
Monoisotopic Mass: 5.2
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]+	330.989916	158.7
[M+Na]+	352.971858	171.3
[M-H]-	328.975364	170.4
[M+NH4]+	348.016463	177.5
[M+K]+	368.945798	157.9
[M+H-H2O]+	312.979900	157.8
[M+HCOO]-	374.980841	177.9
[M+CH3COO]-	388.996491	173.4
[M+Na-2H]-	350.957306	164.0
[M]+	329.98209142	178.3
[M]-	329.98318858	178.3

Literature stripe

literature stripe

Patent stripe

patents stripe