CID 10936790
Brosimacutin c
Structural Information
- Molecular Formula
- C20H22O5
- SMILES
- CC(C)(CCC1=C(C=CC2=C1OC(CC2=O)C3=CC=C(C=C3)O)O)O
- InChI
- InChI=1S/C20H22O5/c1-20(2,24)10-9-15-16(22)8-7-14-17(23)11-18(25-19(14)15)12-3-5-13(21)6-4-12/h3-8,18,21-22,24H,9-11H2,1-2H3
- InChIKey
- RFBOXBGSYTWSBN-UHFFFAOYSA-N
- Compound name
- 7-hydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 343.15401 | 180.6 |
[M+Na]+ | 365.13595 | 187.3 |
[M-H]- | 341.13945 | 185.0 |
[M+NH4]+ | 360.18055 | 191.9 |
[M+K]+ | 381.10989 | 183.9 |
[M+H-H2O]+ | 325.14399 | 173.5 |
[M+HCOO]- | 387.14493 | 193.7 |
[M+CH3COO]- | 401.16058 | 207.9 |
[M+Na-2H]- | 363.12140 | 183.8 |
[M]+ | 342.14618 | 180.9 |
[M]- | 342.14728 | 180.9 |
Literature stripe
Patent stripe
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