CID 3064782

105668-15-3

Structural Information

Molecular Formula
C34H56N4
SMILES
C[N+]1(CCN(CC1)CCCCCCCCCCN2CC[N+](CC2)(C)CC3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C34H56N4/c1-37(31-33-17-11-9-12-18-33)27-23-35(24-28-37)21-15-7-5-3-4-6-8-16-22-36-25-29-38(2,30-26-36)32-34-19-13-10-14-20-34/h9-14,17-20H,3-8,15-16,21-32H2,1-2H3/q+2
InChIKey
CZRKPOPDJKKHAU-UHFFFAOYSA-N
Compound name
1-benzyl-4-[10-(4-benzyl-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

520.4505 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.45778 240.8
[M+Na]+ 543.43972 237.5
[M-H]- 519.44322 243.4
[M+NH4]+ 538.48432 243.0
[M+K]+ 559.41366 218.1
[M+H-H2O]+ 503.44776 228.4
[M+HCOO]- 565.44870 245.2
[M+CH3COO]- 579.46435 233.9
[M+Na-2H]- 541.42517 241.3
[M]+ 520.44995 232.0
[M]- 520.45105 232.0
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.