CID 11573476

Muricarpone b

Structural Information

Molecular Formula
C19H22O5
SMILES
C1=CC(=C(C=C1CCCCC(=O)CCC2=CC(=C(C=C2)O)O)O)O
InChI
InChI=1S/C19H22O5/c20-15(8-5-14-7-10-17(22)19(24)12-14)4-2-1-3-13-6-9-16(21)18(23)11-13/h6-7,9-12,21-24H,1-5,8H2
InChIKey
UHRUXUCWHIGENP-UHFFFAOYSA-N
Compound name
1,7-bis(3,4-dihydroxyphenyl)heptan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

330.14673 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.15401 179.5
[M+Na]+ 353.13595 191.0
[M+NH4]+ 348.18055 184.6
[M+K]+ 369.10989 185.5
[M-H]- 329.13945 180.6
[M+Na-2H]- 351.12140 183.8
[M]+ 330.14618 181.2
[M]- 330.14728 181.2
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

patents stripe