CID 44257466

Lmpk12070092

Structural Information

Molecular Formula
C20H18O5
SMILES
CC(=C)C1CC2=C(O1)C=C(C3=C2OCC4C3OC5=C4C=CC(=C5)O)O
InChI
InChI=1S/C20H18O5/c1-9(2)15-6-12-17(24-15)7-14(22)18-19(12)23-8-13-11-4-3-10(21)5-16(11)25-20(13)18/h3-5,7,13,15,20-22H,1,6,8H2,2H3
InChIKey
CCQYTBSOADZYAG-UHFFFAOYSA-N
Compound name
16-prop-1-en-2-yl-3,12,17-trioxapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),4(9),5,7,14(18),19-hexaene-6,20-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.11542 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12270 175.8
[M+Na]+ 361.10464 184.7
[M-H]- 337.10814 182.9
[M+NH4]+ 356.14924 192.0
[M+K]+ 377.07858 182.5
[M+H-H2O]+ 321.11268 172.3
[M+HCOO]- 383.11362 186.8
[M+CH3COO]- 397.12927 186.8
[M+Na-2H]- 359.09009 177.2
[M]+ 338.11487 178.4
[M]- 338.11597 178.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.