CID 4476954
3-amino-4-{3-[2-(2-propoxy-ethoxy)-ethoxy]-propylamino}-cyclobut-3-ene-1,2-dione
Structural Information
- Molecular Formula
- C14H24N2O5
- SMILES
- CCCOCCOCCOCCCNC1=C(C(=O)C1=O)N
- InChI
- InChI=1S/C14H24N2O5/c1-2-5-19-7-9-21-10-8-20-6-3-4-16-12-11(15)13(17)14(12)18/h16H,2-10,15H2,1H3
- InChIKey
- ZUVPNXOKAPTNLU-UHFFFAOYSA-N
- Compound name
- 3-amino-4-[3-[2-(2-propoxyethoxy)ethoxy]propylamino]cyclobut-3-ene-1,2-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 301.17580 | 169.3 |
[M+Na]+ | 323.15774 | 173.3 |
[M-H]- | 299.16124 | 171.8 |
[M+NH4]+ | 318.20234 | 177.2 |
[M+K]+ | 339.13168 | 175.2 |
[M+H-H2O]+ | 283.16578 | 155.5 |
[M+HCOO]- | 345.16672 | 193.7 |
[M+CH3COO]- | 359.18237 | 212.5 |
[M+Na-2H]- | 321.14319 | 170.7 |
[M]+ | 300.16797 | 185.6 |
[M]- | 300.16907 | 185.6 |