CID 5719252

243975-40-8

Structural Information

Molecular Formula
C16H10N2S2
SMILES
C1=CC=C(C=C1)C2=CSC(=N2)/C(=C/C3=CC=CS3)/C#N
InChI
InChI=1S/C16H10N2S2/c17-10-13(9-14-7-4-8-19-14)16-18-15(11-20-16)12-5-2-1-3-6-12/h1-9,11H/b13-9+
InChIKey
JNGCYEDRDDSFEQ-UKTHLTGXSA-N
Compound name
(E)-2-(4-phenyl-1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

294.02853 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.035806 181.7
[M+Na]+ 317.017748 195.5
[M-H]- 293.021254 190.1
[M+NH4]+ 312.062353 198.6
[M+K]+ 332.991688 187.6
[M+H-H2O]+ 277.025790 168.4
[M+HCOO]- 339.026731 194.1
[M+CH3COO]- 353.042381 192.4
[M+Na-2H]- 315.003196 178.8
[M]+ 294.02798142 180.0
[M]- 294.02907858 180.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.