CID 84750

15001-42-0

Structural Information

Molecular Formula
C24H38N2
SMILES
C1=CC=[N+](C=C1)CCCCCCCCCCCCCC[N+]2=CC=CC=C2
InChI
InChI=1S/C24H38N2/c1(3-5-7-9-13-19-25-21-15-11-16-22-25)2-4-6-8-10-14-20-26-23-17-12-18-24-26/h11-12,15-18,21-24H,1-10,13-14,19-20H2/q+2
InChIKey
BAROVFANZMEZJO-UHFFFAOYSA-N
Compound name
1-(14-pyridin-1-ium-1-yltetradecyl)pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.3035 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.31078 200.5
[M+Na]+ 377.29272 202.2
[M-H]- 353.29622 202.2
[M+NH4]+ 372.33732 209.4
[M+K]+ 393.26666 184.8
[M+H-H2O]+ 337.30076 194.2
[M+HCOO]- 399.30170 217.5
[M+CH3COO]- 413.31735 205.5
[M+Na-2H]- 375.27817 206.9
[M]+ 354.30295 201.3
[M]- 354.30405 201.3
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.