CID 11472044

Aurentiacin

Structural Information

Molecular Formula
C18H18O4
SMILES
CC1=C(C(=C(C=C1OC)OC)C(=O)/C=C/C2=CC=CC=C2)O
InChI
InChI=1S/C18H18O4/c1-12-15(21-2)11-16(22-3)17(18(12)20)14(19)10-9-13-7-5-4-6-8-13/h4-11,20H,1-3H3/b10-9+
InChIKey
KHJPPYCLBALJRR-MDZDMXLPSA-N
Compound name
(E)-1-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

298.1205 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.12778 167.9
[M+Na]+ 321.10972 176.1
[M-H]- 297.11322 173.9
[M+NH4]+ 316.15432 182.8
[M+K]+ 337.08366 172.3
[M+H-H2O]+ 281.11776 160.4
[M+HCOO]- 343.11870 189.7
[M+CH3COO]- 357.13435 203.0
[M+Na-2H]- 319.09517 169.5
[M]+ 298.11995 171.8
[M]- 298.12105 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.