CID 29834

19847-09-7

Structural Information

Molecular Formula
C29H52N4O4
SMILES
CN1CC2CCCC(C1)N2CCOC(=O)CCCCCCCC(=O)OCCN3C4CCCC3CN(C4)C
InChI
InChI=1S/C29H52N4O4/c1-30-20-24-10-8-11-25(21-30)32(24)16-18-36-28(34)14-6-4-3-5-7-15-29(35)37-19-17-33-26-12-9-13-27(33)23-31(2)22-26/h24-27H,3-23H2,1-2H3
InChIKey
HTWRUNKLPLEYAX-UHFFFAOYSA-N
Compound name
bis[2-(3-methyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)ethyl] nonanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

520.39886 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.40614 235.1
[M+Na]+ 543.38808 230.6
[M-H]- 519.39158 229.4
[M+NH4]+ 538.43268 237.3
[M+K]+ 559.36202 225.8
[M+H-H2O]+ 503.39612 221.9
[M+HCOO]- 565.39706 231.9
[M+CH3COO]- 579.41271 249.9
[M+Na-2H]- 541.37353 228.6
[M]+ 520.39831 232.0
[M]- 520.39941 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.