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

70
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 165.2
[M+Na]+ 319.03342 176.1
[M-H]- 295.03692 175.6
[M+NH4]+ 314.07802 182.5
[M+K]+ 335.00736 168.5
[M+H-H2O]+ 279.04146 157.5
[M+HCOO]- 341.04240 182.5
[M+CH3COO]- 355.05805 177.8
[M+Na-2H]- 317.01887 166.4
[M]+ 296.04365 167.6
[M]- 296.04475 167.6
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

patents stripe