CID 80263

6159-05-3

Structural Information

Molecular Formula
C24H38N2
SMILES
CCCCCCC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCCCCC
InChI
InChI=1S/C24H38N2/c1-3-5-7-9-11-17-25-19-13-23(14-20-25)24-15-21-26(22-16-24)18-12-10-8-6-4-2/h13-16,19-22H,3-12,17-18H2,1-2H3/q+2
InChIKey
XJGZGUSMZSXHJI-UHFFFAOYSA-N
Compound name
1-heptyl-4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

755
Patents

354.3035 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.31078 200.3
[M+Na]+ 377.29272 203.9
[M-H]- 353.29622 202.8
[M+NH4]+ 372.33732 209.9
[M+K]+ 393.26666 186.5
[M+H-H2O]+ 337.30076 194.6
[M+HCOO]- 399.30170 217.4
[M+CH3COO]- 413.31735 207.4
[M+Na-2H]- 375.27817 205.5
[M]+ 354.30295 201.9
[M]- 354.30405 201.9
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

patents stripe