CID 42607672

Lusianin

Structural Information

Molecular Formula
C17H18O5
SMILES
COC1=CC=C(C=C1)CCC(=O)C2=C(C(=C(C=C2)O)OC)O
InChI
InChI=1S/C17H18O5/c1-21-12-6-3-11(4-7-12)5-9-14(18)13-8-10-15(19)17(22-2)16(13)20/h3-4,6-8,10,19-20H,5,9H2,1-2H3
InChIKey
IAZAAODSJBTRMV-UHFFFAOYSA-N
Compound name
1-(2,4-dihydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.11542 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.12270 167.9
[M+Na]+ 325.10464 175.5
[M-H]- 301.10814 172.5
[M+NH4]+ 320.14924 181.8
[M+K]+ 341.07858 172.4
[M+H-H2O]+ 285.11268 160.4
[M+HCOO]- 347.11362 188.4
[M+CH3COO]- 361.12927 201.3
[M+Na-2H]- 323.09009 169.5
[M]+ 302.11487 171.8
[M]- 302.11597 171.8
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.