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

48
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

patents stripe