CID 9939908

Dibehenyldimonium chloride

Structural Information

Molecular Formula
C46H96N
SMILES
CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C46H96N/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47(3,4)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-46H2,1-4H3/q+1
InChIKey
CXVSBABSEYWIJS-UHFFFAOYSA-N
Compound name
di(docosyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3521
Patents

662.7543 Da
Monoisotopic Mass

22.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 663.76158 296.3
[M+Na]+ 685.74352 296.2
[M+NH4]+ 680.78812 253.5
[M+K]+ 701.71746 254.0
[M-H]- 661.74702 232.2
[M+Na-2H]- 683.72897 279.5
[M]+ 662.75375 293.2
[M]- 662.75485 293.2
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