CID 24209698

2-(2-benzo(b)thiophen-2-yl-vinyl)-quinoline

Structural Information

Molecular Formula
C19H13NS
SMILES
C1=CC=C2C(=C1)C=CC(=N2)/C=C\C3=CC4=CC=CC=C4S3
InChI
InChI=1S/C19H13NS/c1-3-7-18-14(5-1)9-10-16(20-18)11-12-17-13-15-6-2-4-8-19(15)21-17/h1-13H/b12-11-
InChIKey
BSCKHKVUCAFICJ-QXMHVHEDSA-N
Compound name
2-[(Z)-2-(1-benzothiophen-2-yl)ethenyl]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.07687 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.08415 164.7
[M+Na]+ 310.06609 176.2
[M-H]- 286.06959 172.7
[M+NH4]+ 305.11069 183.8
[M+K]+ 326.04003 168.4
[M+H-H2O]+ 270.07413 157.3
[M+HCOO]- 332.07507 183.5
[M+CH3COO]- 346.09072 177.5
[M+Na-2H]- 308.05154 170.0
[M]+ 287.07632 168.3
[M]- 287.07742 168.3
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.