CID 6445089

21074-54-4

Structural Information

Molecular Formula
C21H27N3
SMILES
C[N+](C)(C)CCC[N+]1=CC=C(C=C1)/C=C/C2=CNC3=CC=CC=C32
InChI
InChI=1S/C21H26N3/c1-24(2,3)16-6-13-23-14-11-18(12-15-23)9-10-19-17-22-21-8-5-4-7-20(19)21/h4-5,7-12,14-15,17H,6,13,16H2,1-3H3/q+1/p+1
InChIKey
GCTCCYUXPNQCGS-UHFFFAOYSA-O
Compound name
3-[4-[(E)-2-(1H-indol-3-yl)ethenyl]pyridin-1-ium-1-yl]propyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.2205 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.22778 176.3
[M+Na]+ 344.20972 194.5
[M+NH4]+ 339.25432 186.7
[M+K]+ 360.18366 188.1
[M-H]- 320.21322 184.1
[M+Na-2H]- 342.19517 187.0
[M]+ 321.21995 182.1
[M]- 321.22105 182.1
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.