CID 24842418

104623-96-3

Structural Information

Molecular Formula
C28H60N4
SMILES
C[N+]1(CCN(CC1)CCCCCCCCCCCCCCCCN2CC[N+](CC2)(C)C)C
InChI
InChI=1S/C28H60N4/c1-31(2)25-21-29(22-26-31)19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-30-23-27-32(3,4)28-24-30/h5-28H2,1-4H3/q+2
InChIKey
MSEZBPJMYWQWBZ-UHFFFAOYSA-N
Compound name
4-[16-(4,4-dimethylpiperazin-4-ium-1-yl)hexadecyl]-1,1-dimethylpiperazin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.4818 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.489076 219.9
[M+Na]+ 475.471018 217.6
[M-H]- 451.474524 217.2
[M+NH4]+ 470.515623 226.8
[M+K]+ 491.444958 201.3
[M+H-H2O]+ 435.479060 212.8
[M+HCOO]- 497.480001 224.6
[M+CH3COO]- 511.495651 225.3
[M+Na-2H]- 473.456466 220.5
[M]+ 452.48125142 215.2
[M]- 452.48234858 215.2
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

No patent data available for this compound.