CID 774758

17279-56-0

Structural Information

Molecular Formula

C₁₆H₁₂N₂OS

SMILES

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

InChI

InChI=1S/C16H12N2OS/c17-16-18-13(11-7-3-1-4-8-11)15(20-16)14(19)12-9-5-2-6-10-12/h1-10H,(H2,17,18)

InChIKey

DWJFTFVMQOCWNR-UHFFFAOYSA-N

Compound name

(2-amino-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 133
Patents: 280.06705 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]+	281.07433	162.2
[M+Na]+	303.05627	176.4
[M+NH4]+	298.10087	171.3
[M+K]+	319.03021	168.5
[M-H]-	279.05977	168.8
[M+Na-2H]-	301.04172	172.5
[M]+	280.06650	166.6
[M]-	280.06760	166.6

Literature stripe

literature stripe

Patent stripe

patents stripe