CID 6184432

4-(2-(2-thienyl)vinyl)quinoline

Structural Information

Molecular Formula
C15H11NS
SMILES
C1=CC=C2C(=C1)C(=CC=N2)/C=C/C3=CC=CS3
InChI
InChI=1S/C15H11NS/c1-2-6-15-14(5-1)12(9-10-16-15)7-8-13-4-3-11-17-13/h1-11H/b8-7+
InChIKey
YKAFOBODZFZHQY-BQYQJAHWSA-N
Compound name
4-[(E)-2-thiophen-2-ylethenyl]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.06122 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.06850 150.9
[M+Na]+ 260.05044 162.0
[M-H]- 236.05394 158.1
[M+NH4]+ 255.09504 171.1
[M+K]+ 276.02438 155.7
[M+H-H2O]+ 220.05848 144.0
[M+HCOO]- 282.05942 171.3
[M+CH3COO]- 296.07507 164.6
[M+Na-2H]- 258.03589 156.0
[M]+ 237.06067 154.1
[M]- 237.06177 154.1
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.