CID 121013

1110-55-0

Structural Information

Molecular Formula
C36H62N4
SMILES
C[N+]1(CC[N+](CC1)(C)CC2=CC=CC=C2)CCCCCCCCCC[N+]3(CC[N+](CC3)(C)CC4=CC=CC=C4)C
InChI
InChI=1S/C36H62N4/c1-37(25-29-39(3,30-26-37)33-35-19-13-11-14-20-35)23-17-9-7-5-6-8-10-18-24-38(2)27-31-40(4,32-28-38)34-36-21-15-12-16-22-36/h11-16,19-22H,5-10,17-18,23-34H2,1-4H3/q+4
InChIKey
DVEKAPIFUYBFKY-UHFFFAOYSA-N
Compound name
1-benzyl-4-[10-(4-benzyl-1,4-dimethylpiperazine-1,4-diium-1-yl)decyl]-1,4-dimethylpiperazine-1,4-diium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

550.49744 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.50472 242.3
[M+Na]+ 573.48666 239.6
[M-H]- 549.49016 245.4
[M+NH4]+ 568.53126 246.7
[M+K]+ 589.46060 212.8
[M+H-H2O]+ 533.49470 234.6
[M+HCOO]- 595.49564 245.1
[M+CH3COO]- 609.51129 228.6
[M+Na-2H]- 571.47211 247.0
[M]+ 550.49689 232.8
[M]- 550.49799 232.8
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.