CID 198949

3563-78-8

Structural Information

Molecular Formula
C24H52N4
SMILES
CC[N+]1(CCN(CC1)CCCCCCCCCCN2CC[N+](CC2)(C)CC)C
InChI
InChI=1S/C24H52N4/c1-5-27(3)21-17-25(18-22-27)15-13-11-9-7-8-10-12-14-16-26-19-23-28(4,6-2)24-20-26/h5-24H2,1-4H3/q+2
InChIKey
MPMBMARJIUMHTL-UHFFFAOYSA-N
Compound name
1-ethyl-4-[10-(4-ethyl-4-methylpiperazin-4-ium-1-yl)decyl]-1-methylpiperazin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.4192 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.42648 203.6
[M+Na]+ 419.40842 203.0
[M-H]- 395.41192 201.8
[M+NH4]+ 414.45302 212.8
[M+K]+ 435.38236 187.6
[M+H-H2O]+ 379.41646 197.3
[M+HCOO]- 441.41740 209.7
[M+CH3COO]- 455.43305 213.9
[M+Na-2H]- 417.39387 206.2
[M]+ 396.41865 197.6
[M]- 396.41975 197.6
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.