CID 5705915

277756-76-0

Structural Information

Molecular Formula
C17H12N2OS2
SMILES
COC1=CC=C(C=C1)C2=CSC(=N2)/C(=C\C3=CC=CS3)/C#N
InChI
InChI=1S/C17H12N2OS2/c1-20-14-6-4-12(5-7-14)16-11-22-17(19-16)13(10-18)9-15-3-2-8-21-15/h2-9,11H,1H3/b13-9-
InChIKey
AQJDBWKEYCVPLY-LCYFTJDESA-N
Compound name
(Z)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.0391 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.04638 188.4
[M+Na]+ 347.02832 202.0
[M-H]- 323.03182 196.9
[M+NH4]+ 342.07292 204.3
[M+K]+ 363.00226 194.5
[M+H-H2O]+ 307.03636 175.0
[M+HCOO]- 369.03730 200.6
[M+CH3COO]- 383.05295 198.7
[M+Na-2H]- 345.01377 184.7
[M]+ 324.03855 188.4
[M]- 324.03965 188.4
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

No patent data available for this compound.