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]+ 453.48908 219.9
[M+Na]+ 475.47102 217.6
[M-H]- 451.47452 217.2
[M+NH4]+ 470.51562 226.8
[M+K]+ 491.44496 201.3
[M+H-H2O]+ 435.47906 212.8
[M+HCOO]- 497.48000 224.6
[M+CH3COO]- 511.49565 225.3
[M+Na-2H]- 473.45647 220.5
[M]+ 452.48125 215.2
[M]- 452.48235 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.