CID 6445087

4-(2-(1-naphthyl)vinyl)-1-(3-(trimethylammonio)propyl)pyridinium dibromide

Structural Information

Molecular Formula
C23H28N2
SMILES
C[N+](C)(C)CCC[N+]1=CC=C(C=C1)/C=C/C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C23H28N2/c1-25(2,3)19-7-16-24-17-14-20(15-18-24)12-13-22-10-6-9-21-8-4-5-11-23(21)22/h4-6,8-15,17-18H,7,16,19H2,1-3H3/q+2/b13-12+
InChIKey
ZHALQBNNEWQYBV-OUKQBFOZSA-N
Compound name
trimethyl-[3-[4-[(E)-2-naphthalen-1-ylethenyl]pyridin-1-ium-1-yl]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.22525 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.23253 187.6
[M+Na]+ 355.21447 193.0
[M-H]- 331.21797 194.5
[M+NH4]+ 350.25907 200.7
[M+K]+ 371.18841 175.8
[M+H-H2O]+ 315.22251 183.0
[M+HCOO]- 377.22345 206.9
[M+CH3COO]- 391.23910 205.3
[M+Na-2H]- 353.19992 197.9
[M]+ 332.22470 186.5
[M]- 332.22580 186.5
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.