CID 10085385

Myrigalone h

Structural Information

Molecular Formula
C17H18O4
SMILES
CC1=C(C(=C(C=C1O)OC)C(=O)CCC2=CC=CC=C2)O
InChI
InChI=1S/C17H18O4/c1-11-14(19)10-15(21-2)16(17(11)20)13(18)9-8-12-6-4-3-5-7-12/h3-7,10,19-20H,8-9H2,1-2H3
InChIKey
ZDJYWPQCNAPESX-UHFFFAOYSA-N
Compound name
1-(2,4-dihydroxy-6-methoxy-3-methylphenyl)-3-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

286.1205 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12778 166.3
[M+Na]+ 309.10972 179.9
[M+NH4]+ 304.15432 173.1
[M+K]+ 325.08366 173.7
[M-H]- 285.11322 169.1
[M+Na-2H]- 307.09517 172.9
[M]+ 286.11995 169.0
[M]- 286.12105 169.0
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

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