CID 3063710

101521-37-3

Structural Information

Molecular Formula
C22H48N4
SMILES
C[N+]1(CCN(CC1)CCCCCCCCCCN2CC[N+](CC2)(C)C)C
InChI
InChI=1S/C22H48N4/c1-25(2)19-15-23(16-20-25)13-11-9-7-5-6-8-10-12-14-24-17-21-26(3,4)22-18-24/h5-22H2,1-4H3/q+2
InChIKey
MDLGVNQWWMERMV-UHFFFAOYSA-N
Compound name
4-[10-(4,4-dimethylpiperazin-4-ium-1-yl)decyl]-1,1-dimethylpiperazin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.3879 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.39518 195.4
[M+Na]+ 391.37712 195.7
[M-H]- 367.38062 193.9
[M+NH4]+ 386.42172 205.7
[M+K]+ 407.35106 180.7
[M+H-H2O]+ 351.38516 189.5
[M+HCOO]- 413.38610 202.1
[M+CH3COO]- 427.40175 208.1
[M+Na-2H]- 389.36257 198.9
[M]+ 368.38735 188.7
[M]- 368.38845 188.7
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.