CID 24842420

Sd 211-41

Structural Information

Molecular Formula
C30H64N4
SMILES
CC[N+]1(CCN(CC1)CCCCCCCCCCCCCCCCN2CC[N+](CC2)(C)CC)C
InChI
InChI=1S/C30H64N4/c1-5-33(3)27-23-31(24-28-33)21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-32-25-29-34(4,6-2)30-26-32/h5-30H2,1-4H3/q+2
InChIKey
GHPFSQPLMTVZST-UHFFFAOYSA-N
Compound name
1-ethyl-4-[16-(4-ethyl-4-methylpiperazin-4-ium-1-yl)hexadecyl]-1-methylpiperazin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.5131 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.52038 227.9
[M+Na]+ 503.50232 224.7
[M-H]- 479.50582 224.7
[M+NH4]+ 498.54692 233.6
[M+K]+ 519.47626 208.0
[M+H-H2O]+ 463.51036 220.5
[M+HCOO]- 525.51130 231.9
[M+CH3COO]- 539.52695 231.0
[M+Na-2H]- 501.48777 227.5
[M]+ 480.51255 223.8
[M]- 480.51365 223.8
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.