CID 9577582

Brn 0192142

Structural Information

Molecular Formula

C₁₆H₁₂N₂S

SMILES

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

InChI

InChI=1S/C16H12N2S/c1-3-7-13(8-4-1)11-17-16-18-15(12-19-16)14-9-5-2-6-10-14/h1-12H/b17-11+

InChIKey

WNQLXXHCCUAUIQ-GZTJUZNOSA-N

Compound name

(E)-1-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)methanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 264.0721 Da
Monoisotopic Mass: 4.6
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]+	265.07938	158.8
[M+Na]+	287.06132	174.4
[M+NH4]+	282.10592	169.1
[M+K]+	303.03526	164.3
[M-H]-	263.06482	166.7
[M+Na-2H]-	285.04677	171.0
[M]+	264.07155	163.9
[M]-	264.07265	163.9

Literature stripe

literature stripe

Patent stripe

patents stripe