CID 73222

6318-74-7

Structural Information

Molecular Formula

C₁₅H₁₂N₂S

SMILES

C1=CC=C(C=C1)C2=C(SC(=N2)N)C3=CC=CC=C3

InChI

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

InChIKey

XDWGEGZDMFHZBL-UHFFFAOYSA-N

Compound name

4,5-diphenyl-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 25
References: 274
Patents: 252.07211 Da
Monoisotopic Mass: 3.9
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]+	253.07939	154.6
[M+Na]+	275.06133	164.2
[M-H]-	251.06483	163.6
[M+NH4]+	270.10593	172.3
[M+K]+	291.03527	158.0
[M+H-H2O]+	235.06937	146.8
[M+HCOO]-	297.07031	175.2
[M+CH3COO]-	311.08596	167.5
[M+Na-2H]-	273.04678	157.1
[M]+	252.07156	154.5
[M]-	252.07266	154.5

Literature stripe

literature stripe

Patent stripe

patents stripe