CID 3591028

4-(p-dihexadecylaminostyryl)-n-methylquinolinium iodide

Structural Information

Molecular Formula
C50H81N2
SMILES
CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)C1=CC=C(C=C1)C=CC2=CC=[N+](C3=CC=CC=C23)C
InChI
InChI=1S/C50H81N2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-32-43-52(44-33-29-27-25-23-21-19-17-15-13-11-9-7-5-2)48-40-37-46(38-41-48)36-39-47-42-45-51(3)50-35-31-30-34-49(47)50/h30-31,34-42,45H,4-29,32-33,43-44H2,1-3H3/q+1
InChIKey
UJDMLFHMXOIMJG-UHFFFAOYSA-N
Compound name
N,N-dihexadecyl-4-[2-(1-methylquinolin-1-ium-4-yl)ethenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

709.63995 Da
Monoisotopic Mass

20.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 710.64723 303.7
[M+Na]+ 732.62917 315.7
[M+NH4]+ 727.67377 308.9
[M+K]+ 748.60311 299.0
[M-H]- 708.63267 310.6
[M+Na-2H]- 730.61462 306.5
[M]+ 709.63940 307.9
[M]- 709.64050 307.9
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.