CID 209428

19847-06-4

Structural Information

Molecular Formula
C25H44N4O4
SMILES
CN1CC2CCCC(C1)N2CCOC(=O)CCCC(=O)OCCN3C4CCCC3CN(C4)C
InChI
InChI=1S/C25H44N4O4/c1-26-16-20-6-3-7-21(17-26)28(20)12-14-32-24(30)10-5-11-25(31)33-15-13-29-22-8-4-9-23(29)19-27(2)18-22/h20-23H,3-19H2,1-2H3
InChIKey
ZEQQBXHDJFVQBZ-UHFFFAOYSA-N
Compound name
bis[2-(3-methyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)ethyl] pentanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.33624 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.34352 218.9
[M+Na]+ 487.32546 216.3
[M-H]- 463.32896 214.1
[M+NH4]+ 482.37006 223.5
[M+K]+ 503.29940 212.2
[M+H-H2O]+ 447.33350 206.4
[M+HCOO]- 509.33444 217.1
[M+CH3COO]- 523.35009 238.8
[M+Na-2H]- 485.31091 214.3
[M]+ 464.33569 214.7
[M]- 464.33679 214.7
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.