CID 210250

21199-33-7

Structural Information

Molecular Formula
C23H30N2
SMILES
C[N+](C)(C)CCC[N+]1=CC=CC=C1CCC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C23H30N2/c1-25(2,3)19-9-18-24-17-7-6-13-22(24)16-15-21-12-8-11-20-10-4-5-14-23(20)21/h4-8,10-14,17H,9,15-16,18-19H2,1-3H3/q+2
InChIKey
VZZPRVCPTDGEKY-UHFFFAOYSA-N
Compound name
trimethyl-[3-[2-(2-naphthalen-1-ylethyl)pyridin-1-ium-1-yl]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.2409 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.248176 188.4
[M+Na]+ 357.230118 193.4
[M-H]- 333.233624 195.2
[M+NH4]+ 352.274723 201.4
[M+K]+ 373.204058 176.8
[M+H-H2O]+ 317.238160 183.7
[M+HCOO]- 379.239101 207.5
[M+CH3COO]- 393.254751 207.0
[M+Na-2H]- 355.215566 198.8
[M]+ 334.24035142 188.1
[M]- 334.24144858 188.1
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.