CID 210258

2-(2-inden-1-ylethyl)-1-(3-(trimethylammonio)propyl)pyridinium dibromide

Structural Information

Molecular Formula
C22H30N2
SMILES
C[N+](C)(C)CCC[N+]1=CC=CC=C1CCC2C=CC3=CC=CC=C23
InChI
InChI=1S/C22H30N2/c1-24(2,3)18-8-17-23-16-7-6-10-21(23)15-14-20-13-12-19-9-4-5-11-22(19)20/h4-7,9-13,16,20H,8,14-15,17-18H2,1-3H3/q+2
InChIKey
LZWIKMSSBJGVNO-UHFFFAOYSA-N
Compound name
3-[2-[2-(1H-inden-1-yl)ethyl]pyridin-1-ium-1-yl]propyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.2409 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.24818 185.1
[M+Na]+ 345.23012 190.6
[M-H]- 321.23362 192.4
[M+NH4]+ 340.27472 200.7
[M+K]+ 361.20406 174.5
[M+H-H2O]+ 305.23816 181.4
[M+HCOO]- 367.23910 205.6
[M+CH3COO]- 381.25475 203.9
[M+Na-2H]- 343.21557 193.7
[M]+ 322.24035 185.4
[M]- 322.24145 185.4
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.