CID 110653

Nsc 3284

Structural Information

Molecular Formula
C22H32N4
SMILES
C[N+]1(CCCC1C2=CN=CC=C2)CC[N+]3(CCCC3C4=CN=CC=C4)C
InChI
InChI=1S/C22H32N4/c1-25(13-5-9-21(25)19-7-3-11-23-17-19)15-16-26(2)14-6-10-22(26)20-8-4-12-24-18-20/h3-4,7-8,11-12,17-18,21-22H,5-6,9-10,13-16H2,1-2H3/q+2
InChIKey
MJRIWDXWCJJQJG-UHFFFAOYSA-N
Compound name
3-[1-methyl-1-[2-(1-methyl-2-pyridin-3-ylpyrrolidin-1-ium-1-yl)ethyl]pyrrolidin-1-ium-2-yl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.2627 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.26998 183.7
[M+Na]+ 375.25192 200.2
[M+NH4]+ 370.29652 196.5
[M+K]+ 391.22586 192.3
[M-H]- 351.25542 192.7
[M+Na-2H]- 373.23737 196.9
[M]+ 352.26215 189.7
[M]- 352.26325 189.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.