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
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 479.35918 | 223.0 |
[M+Na]+ | 501.34112 | 219.9 |
[M-H]- | 477.34462 | 217.9 |
[M+NH4]+ | 496.38572 | 227.0 |
[M+K]+ | 517.31506 | 215.6 |
[M+H-H2O]+ | 461.34916 | 210.3 |
[M+HCOO]- | 523.35010 | 220.8 |
[M+CH3COO]- | 537.36575 | 241.6 |
[M+Na-2H]- | 499.32657 | 217.9 |
[M]+ | 478.35135 | 219.0 |
[M]- | 478.35245 | 219.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.