CID 741428

F16

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

44
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 151.9
[M+Na]+ 258.11274 170.2
[M+NH4]+ 253.15734 162.2
[M+K]+ 274.08668 163.2
[M-H]- 234.11624 157.8
[M+Na-2H]- 256.09819 162.5
[M]+ 235.12297 156.7
[M]- 235.12407 156.7
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.