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]+ 323.248176 185.1
[M+Na]+ 345.230118 190.6
[M-H]- 321.233624 192.4
[M+NH4]+ 340.274723 200.7
[M+K]+ 361.204058 174.5
[M+H-H2O]+ 305.238160 181.4
[M+HCOO]- 367.239101 205.6
[M+CH3COO]- 381.254751 203.9
[M+Na-2H]- 343.215566 193.7
[M]+ 322.24035142 185.4
[M]- 322.24144858 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.