CID 5879763

4-hydroxycordoin

Structural Information

Molecular Formula
C20H20O4
SMILES
CC(=CCOC1=CC(=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)O)O)C
InChI
InChI=1S/C20H20O4/c1-14(2)11-12-24-17-8-9-18(20(23)13-17)19(22)10-5-15-3-6-16(21)7-4-15/h3-11,13,21,23H,12H2,1-2H3/b10-5+
InChIKey
SFXYAAFUXNWNQF-BJMVGYQFSA-N
Compound name
(E)-1-[2-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

24
Patents

324.13617 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.14345 177.0
[M+Na]+ 347.12539 182.9
[M-H]- 323.12889 180.8
[M+NH4]+ 342.16999 189.6
[M+K]+ 363.09933 177.8
[M+H-H2O]+ 307.13343 169.3
[M+HCOO]- 369.13437 195.7
[M+CH3COO]- 383.15002 204.9
[M+Na-2H]- 345.11084 176.4
[M]+ 324.13562 177.8
[M]- 324.13672 177.8
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

patents stripe