CID 6476086

Bakuchalcone

Structural Information

Molecular Formula
C20H20O5
SMILES
CC(C)(C1CC2=C(O1)C=CC(=C2O)C(=O)/C=C/C3=CC=C(C=C3)O)O
InChI
InChI=1S/C20H20O5/c1-20(2,24)18-11-15-17(25-18)10-8-14(19(15)23)16(22)9-5-12-3-6-13(21)7-4-12/h3-10,18,21,23-24H,11H2,1-2H3/b9-5+
InChIKey
ZRPXWNBCRBPVHB-WEVVVXLNSA-N
Compound name
(E)-1-[4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.13107 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.13835 179.6
[M+Na]+ 363.12029 186.4
[M-H]- 339.12379 184.3
[M+NH4]+ 358.16489 192.7
[M+K]+ 379.09423 182.5
[M+H-H2O]+ 323.12833 173.9
[M+HCOO]- 385.12927 194.3
[M+CH3COO]- 399.14492 205.3
[M+Na-2H]- 361.10574 181.0
[M]+ 340.13052 180.3
[M]- 340.13162 180.3
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.