CID 57983
100700-33-2
Structural Information
- Molecular Formula
- C24H35NO7
- SMILES
- CCC(C(=O)OCCN1CCCCC1)OC2C3C=COC3C(C4C2C(=O)C=C(O4)C)OC
- InChI
- InChI=1S/C24H35NO7/c1-4-18(24(27)30-13-11-25-9-6-5-7-10-25)32-20-16-8-12-29-21(16)23(28-3)22-19(20)17(26)14-15(2)31-22/h8,12,14,16,18-23H,4-7,9-11,13H2,1-3H3
- InChIKey
- HBXCYGAZVNCLDB-UHFFFAOYSA-N
- Compound name
- 2-piperidin-1-ylethyl 2-[(9-methoxy-7-methyl-5-oxo-3a,4,4a,8a,9,9a-hexahydrofuro[3,2-g]chromen-4-yl)oxy]butanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 450.24864 | 208.1 |
[M+Na]+ | 472.23058 | 209.3 |
[M-H]- | 448.23408 | 213.9 |
[M+NH4]+ | 467.27518 | 216.0 |
[M+K]+ | 488.20452 | 209.5 |
[M+H-H2O]+ | 432.23862 | 199.7 |
[M+HCOO]- | 494.23956 | 215.2 |
[M+CH3COO]- | 508.25521 | 233.6 |
[M+Na-2H]- | 470.21603 | 203.6 |
[M]+ | 449.24081 | 209.7 |
[M]- | 449.24191 | 209.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.