CID 120419

864-75-5

Structural Information

Molecular Formula
C35H60N4
SMILES
C[N+]1(CC[N+](CC1)(C)CC2=CC=CC=C2)CCCCCCCCC[N+]3(CC[N+](CC3)(C)CC4=CC=CC=C4)C
InChI
InChI=1S/C35H60N4/c1-36(24-28-38(3,29-25-36)32-34-18-12-10-13-19-34)22-16-8-6-5-7-9-17-23-37(2)26-30-39(4,31-27-37)33-35-20-14-11-15-21-35/h10-15,18-21H,5-9,16-17,22-33H2,1-4H3/q+4
InChIKey
CLNGXHFKIHJWEM-UHFFFAOYSA-N
Compound name
1-benzyl-4-[9-(4-benzyl-1,4-dimethylpiperazine-1,4-diium-1-yl)nonyl]-1,4-dimethylpiperazine-1,4-diium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

536.4818 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.48908 238.6
[M+Na]+ 559.47102 236.3
[M-H]- 535.47452 241.9
[M+NH4]+ 554.51562 243.6
[M+K]+ 575.44496 209.7
[M+H-H2O]+ 519.47906 231.1
[M+HCOO]- 581.48000 241.7
[M+CH3COO]- 595.49565 226.1
[M+Na-2H]- 557.45647 243.8
[M]+ 536.48125 228.9
[M]- 536.48235 228.9
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.