CID 6859809

3-benzylideneamino-4-phenylthiazoline-2-thione

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

0
Patents

296.0442 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.05148 163.1
[M+Na]+ 319.03342 178.3
[M+NH4]+ 314.07802 173.3
[M+K]+ 335.00736 166.6
[M-H]- 295.03692 170.8
[M+Na-2H]- 317.01887 173.9
[M]+ 296.04365 168.6
[M]- 296.04475 168.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.