CID 3061819

Pyridinium, 1,1'-(1,6-hexanediyl)bis(2,4,6-trimethyl-, diperchlorate

Structural Information

Molecular Formula
C22H34N2
SMILES
CC1=CC(=[N+](C(=C1)C)CCCCCC[N+]2=C(C=C(C=C2C)C)C)C
InChI
InChI=1S/C22H34N2/c1-17-13-19(3)23(20(4)14-17)11-9-7-8-10-12-24-21(5)15-18(2)16-22(24)6/h13-16H,7-12H2,1-6H3/q+2
InChIKey
NKSFOXWUTDYQJZ-UHFFFAOYSA-N
Compound name
2,4,6-trimethyl-1-[6-(2,4,6-trimethylpyridin-1-ium-1-yl)hexyl]pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.2722 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.27948 188.7
[M+Na]+ 349.26142 197.0
[M-H]- 325.26492 193.3
[M+NH4]+ 344.30602 200.8
[M+K]+ 365.23536 180.3
[M+H-H2O]+ 309.26946 184.6
[M+HCOO]- 371.27040 206.6
[M+CH3COO]- 385.28605 205.8
[M+Na-2H]- 347.24687 192.6
[M]+ 326.27165 191.3
[M]- 326.27275 191.3
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.