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 187.7
[M+Na]+ 375.25192 191.9
[M-H]- 351.25542 194.7
[M+NH4]+ 370.29652 201.2
[M+K]+ 391.22586 175.4
[M+H-H2O]+ 335.25996 179.9
[M+HCOO]- 397.26090 201.4
[M+CH3COO]- 411.27655 199.5
[M+Na-2H]- 373.23737 191.1
[M]+ 352.26215 180.2
[M]- 352.26325 180.2
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.