CID 90373

24147-49-7

Structural Information

Molecular Formula

C₁₅H₁₂N₂OS

SMILES

C1C(=O)N=C(S1)N(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C15H12N2OS/c18-14-11-19-15(16-14)17(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2

InChIKey

YIQJSUMQWQJBBG-UHFFFAOYSA-N

Compound name

2-(N-phenylanilino)-1,3-thiazol-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 81
Patents: 268.06705 Da
Monoisotopic Mass: 3.4
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]+	269.07433	159.4
[M+Na]+	291.05627	167.2
[M-H]-	267.05977	169.6
[M+NH4]+	286.10087	176.8
[M+K]+	307.03021	163.1
[M+H-H2O]+	251.06431	150.9
[M+HCOO]-	313.06525	180.0
[M+CH3COO]-	327.08090	172.0
[M+Na-2H]-	289.04172	161.9
[M]+	268.06650	160.2
[M]-	268.06760	160.2

Literature stripe

literature stripe

Patent stripe

patents stripe