CID 39513
4,7-dimethoxy-2,3-dimethyl-6-hexadecanoylbenzofuran
Structural Information
- Molecular Formula
- C28H44O4
- SMILES
- CCCCCCCCCCCCCCCC(=O)C1=CC(=C2C(=C(OC2=C1OC)C)C)OC
- InChI
- InChI=1S/C28H44O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(29)23-20-25(30-4)26-21(2)22(3)32-28(26)27(23)31-5/h20H,6-19H2,1-5H3
- InChIKey
- QNHQHTBAPCYVPH-UHFFFAOYSA-N
- Compound name
- 1-(4,7-dimethoxy-2,3-dimethyl-1-benzofuran-6-yl)hexadecan-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 445.33125 | 219.4 |
[M+Na]+ | 467.31319 | 225.0 |
[M-H]- | 443.31669 | 223.4 |
[M+NH4]+ | 462.35779 | 231.2 |
[M+K]+ | 483.28713 | 221.0 |
[M+H-H2O]+ | 427.32123 | 211.5 |
[M+HCOO]- | 489.32217 | 238.3 |
[M+CH3COO]- | 503.33782 | 238.9 |
[M+Na-2H]- | 465.29864 | 215.2 |
[M]+ | 444.32342 | 233.8 |
[M]- | 444.32452 | 233.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.