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]+ 322.227776 182.7
[M+Na]+ 344.209718 189.5
[M-H]- 320.213224 187.9
[M+NH4]+ 339.254323 196.3
[M+K]+ 360.183658 171.7
[M+H-H2O]+ 304.217760 178.7
[M+HCOO]- 366.218701 202.3
[M+CH3COO]- 380.234351 198.8
[M+Na-2H]- 342.195166 192.7
[M]+ 321.21995142 181.9
[M]- 321.22104858 181.9
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.