CID 210248

21199-29-1

Structural Information

Molecular Formula
C22H30N2
SMILES
C[N+](C)(C)CCC[N+]1=CC=C(C=C1)CCC2C=CC3=CC=CC=C23
InChI
InChI=1S/C22H30N2/c1-24(2,3)18-6-15-23-16-13-19(14-17-23)9-10-21-12-11-20-7-4-5-8-22(20)21/h4-5,7-8,11-14,16-17,21H,6,9-10,15,18H2,1-3H3/q+2
InChIKey
SJGJGZZOTOTFCO-UHFFFAOYSA-N
Compound name
3-[4-[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

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.24818 178.6
[M+Na]+ 345.23012 196.4
[M+NH4]+ 340.27472 190.2
[M+K]+ 361.20406 189.4
[M-H]- 321.23362 187.7
[M+Na-2H]- 343.21557 189.2
[M]+ 322.24035 184.8
[M]- 322.24145 184.8
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.