CID 741428

4-[(e)-2-(1h-indol-3-yl)-vinyl]-1-methyl-pyridinium; iodide

Structural Information

Molecular Formula
C16H15N2
SMILES
C[N+]1=CC=C(C=C1)/C=C/C2=CNC3=CC=CC=C32
InChI
InChI=1S/C16H14N2/c1-18-10-8-13(9-11-18)6-7-14-12-17-16-5-3-2-4-15(14)16/h2-12H,1H3/p+1
InChIKey
REPRLCRXMJXHAW-UHFFFAOYSA-O
Compound name
3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

47
Patents

235.12352 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.13080 156.0
[M+Na]+ 258.11274 165.8
[M-H]- 234.11624 160.5
[M+NH4]+ 253.15734 173.2
[M+K]+ 274.08668 153.4
[M+H-H2O]+ 218.12078 150.4
[M+HCOO]- 280.12172 177.5
[M+CH3COO]- 294.13737 182.3
[M+Na-2H]- 256.09819 164.6
[M]+ 235.12297 154.8
[M]- 235.12407 154.8
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.