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]+ 295.03581 181.7
[M+Na]+ 317.01775 195.5
[M-H]- 293.02125 190.1
[M+NH4]+ 312.06235 198.6
[M+K]+ 332.99169 187.6
[M+H-H2O]+ 277.02579 168.4
[M+HCOO]- 339.02673 194.1
[M+CH3COO]- 353.04238 192.4
[M+Na-2H]- 315.00320 178.8
[M]+ 294.02798 180.0
[M]- 294.02908 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.