CID 11022960

2'-o-methylhelichrysetin

Structural Information

Molecular Formula
C17H16O5
SMILES
COC1=CC(=CC(=C1C(=O)/C=C/C2=CC=C(C=C2)O)OC)O
InChI
InChI=1S/C17H16O5/c1-21-15-9-13(19)10-16(22-2)17(15)14(20)8-5-11-3-6-12(18)7-4-11/h3-10,18-19H,1-2H3/b8-5+
InChIKey
SJULMVKFURWCFM-VMPITWQZSA-N
Compound name
(E)-1-(4-hydroxy-2,6-dimethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

8
Patents

300.09976 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.10704 166.8
[M+Na]+ 323.08898 174.8
[M-H]- 299.09248 171.5
[M+NH4]+ 318.13358 180.8
[M+K]+ 339.06292 171.1
[M+H-H2O]+ 283.09702 159.5
[M+HCOO]- 345.09796 187.6
[M+CH3COO]- 359.11361 199.9
[M+Na-2H]- 321.07443 168.5
[M]+ 300.09921 169.9
[M]- 300.10031 169.9
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