CID 15382984
3,4-dimethoxylonchocarpin
Structural Information
- Molecular Formula
- C22H22O5
- SMILES
- CC1(C=CC2=C(O1)C=CC(=C2O)C(=O)/C=C/C3=CC(=C(C=C3)OC)OC)C
- InChI
- InChI=1S/C22H22O5/c1-22(2)12-11-16-18(27-22)10-7-15(21(16)24)17(23)8-5-14-6-9-19(25-3)20(13-14)26-4/h5-13,24H,1-4H3/b8-5+
- InChIKey
- NPDBZFZFFJSOFA-VMPITWQZSA-N
- Compound name
- (E)-3-(3,4-dimethoxyphenyl)-1-(5-hydroxy-2,2-dimethylchromen-6-yl)prop-2-en-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 367.15401 | 186.7 |
[M+Na]+ | 389.13595 | 195.2 |
[M-H]- | 365.13945 | 194.1 |
[M+NH4]+ | 384.18055 | 200.4 |
[M+K]+ | 405.10989 | 192.4 |
[M+H-H2O]+ | 349.14399 | 178.5 |
[M+HCOO]- | 411.14493 | 204.4 |
[M+CH3COO]- | 425.16058 | 216.4 |
[M+Na-2H]- | 387.12140 | 189.6 |
[M]+ | 366.14618 | 192.0 |
[M]- | 366.14728 | 192.0 |