CID 204812

17010-56-9

Structural Information

Molecular Formula
C26H46N4O4
SMILES
CN1CC2CCCC(C1)N2CCOC(=O)CCCCC(=O)OCCN3C4CCCC3CN(C4)C
InChI
InChI=1S/C26H46N4O4/c1-27-17-21-7-5-8-22(18-27)29(21)13-15-33-25(31)11-3-4-12-26(32)34-16-14-30-23-9-6-10-24(30)20-28(2)19-23/h21-24H,3-20H2,1-2H3
InChIKey
JAZZGOKFMSEKLX-UHFFFAOYSA-N
Compound name
bis[2-(3-methyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)ethyl] hexanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.3519 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.35918 223.7
[M+Na]+ 501.34112 229.4
[M+NH4]+ 496.38572 227.8
[M+K]+ 517.31506 223.1
[M-H]- 477.34462 221.9
[M+Na-2H]- 499.32657 218.5
[M]+ 478.35135 223.3
[M]- 478.35245 223.3
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.