CID 3063853
Piperidinium, 1,1'-(m-phenylenebis(oxy(2-hydroxytrimethylene)))bis(1-methyl-, diiodide
Structural Information
- Molecular Formula
- C24H42N2O4
- SMILES
- C[N+]1(CCCCC1)CC(COC2=CC(=CC=C2)OCC(C[N+]3(CCCCC3)C)O)O
- InChI
- InChI=1S/C24H42N2O4/c1-25(12-5-3-6-13-25)17-21(27)19-29-23-10-9-11-24(16-23)30-20-22(28)18-26(2)14-7-4-8-15-26/h9-11,16,21-22,27-28H,3-8,12-15,17-20H2,1-2H3/q+2
- InChIKey
- XYNZTINXFKRMQM-UHFFFAOYSA-N
- Compound name
- 1-[3-[2-hydroxy-3-(1-methylpiperidin-1-ium-1-yl)propoxy]phenoxy]-3-(1-methylpiperidin-1-ium-1-yl)propan-2-ol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 423.32173 | 208.7 |
[M+Na]+ | 445.30367 | 206.2 |
[M-H]- | 421.30717 | 210.1 |
[M+NH4]+ | 440.34827 | 216.6 |
[M+K]+ | 461.27761 | 191.7 |
[M+H-H2O]+ | 405.31171 | 203.4 |
[M+HCOO]- | 467.31265 | 214.2 |
[M+CH3COO]- | 481.32830 | 207.0 |
[M+Na-2H]- | 443.28912 | 211.0 |
[M]+ | 422.31390 | 199.4 |
[M]- | 422.31500 | 199.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.