CID 5338470

277308-31-3

Structural Information

Molecular Formula
C16H10N2OS
SMILES
C1=CC=C(C=C1)C2=CSC(=N2)/C(=C/C3=CC=CO3)/C#N
InChI
InChI=1S/C16H10N2OS/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
SSRQBWIPDFIOQZ-UKTHLTGXSA-N
Compound name
(E)-3-(furan-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

278.0514 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.05868 160.0
[M+Na]+ 301.04062 173.7
[M+NH4]+ 296.08522 165.4
[M+K]+ 317.01456 164.6
[M-H]- 277.04412 158.8
[M+Na-2H]- 299.02607 166.4
[M]+ 278.05085 161.4
[M]- 278.05195 161.4
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.