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]+ 335.24818 188.4
[M+Na]+ 357.23012 193.4
[M-H]- 333.23362 195.2
[M+NH4]+ 352.27472 201.4
[M+K]+ 373.20406 176.8
[M+H-H2O]+ 317.23816 183.7
[M+HCOO]- 379.23910 207.5
[M+CH3COO]- 393.25475 207.0
[M+Na-2H]- 355.21557 198.8
[M]+ 334.24035 188.1
[M]- 334.24145 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.