CID 21637794

5-deoxymyricanone

Structural Information

Molecular Formula
C21H24O4
SMILES
COC1=CC2=CC(=C1OC)C3=C(C=CC(=C3)CCC(=O)CCCC2)O
InChI
InChI=1S/C21H24O4/c1-24-20-13-15-5-3-4-6-16(22)9-7-14-8-10-19(23)17(11-14)18(12-15)21(20)25-2/h8,10-13,23H,3-7,9H2,1-2H3
InChIKey
UCIYWYZLILBGOL-UHFFFAOYSA-N
Compound name
3-hydroxy-16,17-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.16745 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.17473 179.4
[M+Na]+ 363.15667 186.1
[M-H]- 339.16017 178.9
[M+NH4]+ 358.20127 192.9
[M+K]+ 379.13061 182.9
[M+H-H2O]+ 323.16471 176.0
[M+HCOO]- 385.16565 193.5
[M+CH3COO]- 399.18130 207.4
[M+Na-2H]- 361.14212 182.8
[M]+ 340.16690 178.6
[M]- 340.16800 178.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.