CID 6253344

Helichrysetin

Structural Information

Molecular Formula
C16H14O5
SMILES
COC1=CC(=CC(=C1C(=O)/C=C/C2=CC=C(C=C2)O)O)O
InChI
InChI=1S/C16H14O5/c1-21-15-9-12(18)8-14(20)16(15)13(19)7-4-10-2-5-11(17)6-3-10/h2-9,17-18,20H,1H3/b7-4+
InChIKey
OWGUBYRKZATRIT-QPJJXVBHSA-N
Compound name
(E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

39
Patents

286.08414 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09142 162.8
[M+Na]+ 309.07336 170.8
[M-H]- 285.07686 166.3
[M+NH4]+ 304.11796 176.6
[M+K]+ 325.04730 166.5
[M+H-H2O]+ 269.08140 155.9
[M+HCOO]- 331.08234 182.4
[M+CH3COO]- 345.09799 194.7
[M+Na-2H]- 307.05881 164.5
[M]+ 286.08359 163.7
[M]- 286.08469 163.7
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