CID 6859809

22454-80-4

Structural Information

Molecular Formula

C₁₆H₁₂N₂S₂

SMILES

C1=CC=C(C=C1)/C=N/N2C(=CSC2=S)C3=CC=CC=C3

InChI

InChI=1S/C16H12N2S2/c19-16-18(17-11-13-7-3-1-4-8-13)15(12-20-16)14-9-5-2-6-10-14/h1-12H/b17-11+

InChIKey

BIAGXFVBJBNHOR-GZTJUZNOSA-N

Compound name

3-[(E)-benzylideneamino]-4-phenyl-1,3-thiazole-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 296.0442 Da
Monoisotopic Mass: 4.3
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]+	297.051476	165.2
[M+Na]+	319.033418	176.1
[M-H]-	295.036924	175.6
[M+NH4]+	314.078023	182.5
[M+K]+	335.007358	168.5
[M+H-H2O]+	279.041460	157.5
[M+HCOO]-	341.042401	182.5
[M+CH3COO]-	355.058051	177.8
[M+Na-2H]-	317.018866	166.4
[M]+	296.04365142	167.6
[M]-	296.04474858	167.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe