CID 10688914

Hamilcone

Structural Information

Molecular Formula
C18H18O7
SMILES
COC1=C(C(=C(C(=C1)O)C(=O)/C=C/C2=CC(=C(C=C2)O)O)OC)OC
InChI
InChI=1S/C18H18O7/c1-23-15-9-14(22)16(18(25-3)17(15)24-2)12(20)7-5-10-4-6-11(19)13(21)8-10/h4-9,19,21-22H,1-3H3/b7-5+
InChIKey
ZORDSTUSHFTNGS-FNORWQNLSA-N
Compound name
(E)-3-(3,4-dihydroxyphenyl)-1-(6-hydroxy-2,3,4-trimethoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.10526 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.11254 176.3
[M+Na]+ 369.09448 184.5
[M-H]- 345.09798 180.0
[M+NH4]+ 364.13908 187.9
[M+K]+ 385.06842 181.6
[M+H-H2O]+ 329.10252 168.7
[M+HCOO]- 391.10346 195.3
[M+CH3COO]- 405.11911 208.0
[M+Na-2H]- 367.07993 175.8
[M]+ 346.10471 181.6
[M]- 346.10581 181.6
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.