CID 3495746

1-methyl-1'-tetradecyl-4,4'-bipyridinium dichloride

Structural Information

Molecular Formula
C25H40N2
SMILES
CCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C
InChI
InChI=1S/C25H40N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-27-22-17-25(18-23-27)24-15-20-26(2)21-16-24/h15-18,20-23H,3-14,19H2,1-2H3/q+2
InChIKey
SNUDAELCXNZQPV-UHFFFAOYSA-N
Compound name
1-methyl-4-(1-tetradecylpyridin-1-ium-4-yl)pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

368.31915 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.32643 204.8
[M+Na]+ 391.30837 208.0
[M-H]- 367.31187 207.2
[M+NH4]+ 386.35297 213.8
[M+K]+ 407.28231 190.4
[M+H-H2O]+ 351.31641 198.9
[M+HCOO]- 413.31735 221.6
[M+CH3COO]- 427.33300 210.3
[M+Na-2H]- 389.29382 209.5
[M]+ 368.31860 206.8
[M]- 368.31970 206.8
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

patents stripe