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 172.5
[M+Na]+ 301.04062 185.3
[M-H]- 277.04412 180.7
[M+NH4]+ 296.08522 188.0
[M+K]+ 317.01456 179.1
[M+H-H2O]+ 261.04866 158.3
[M+HCOO]- 323.04960 189.2
[M+CH3COO]- 337.06525 183.7
[M+Na-2H]- 299.02607 172.1
[M]+ 278.05085 171.1
[M]- 278.05195 171.1
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.