CID 15479308

Crassichalcone

Structural Information

Molecular Formula
C21H20O4
SMILES
CC(=C)C1CC2=C(C(=C(C=C2O1)OC)C(=O)/C=C/C3=CC=CC=C3)O
InChI
InChI=1S/C21H20O4/c1-13(2)17-11-15-18(25-17)12-19(24-3)20(21(15)23)16(22)10-9-14-7-5-4-6-8-14/h4-10,12,17,23H,1,11H2,2-3H3/b10-9+
InChIKey
VQIKMMPLZDAZMZ-MDZDMXLPSA-N
Compound name
(E)-1-(4-hydroxy-6-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.13617 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.14345 180.3
[M+Na]+ 359.12539 187.4
[M-H]- 335.12889 187.3
[M+NH4]+ 354.16999 194.8
[M+K]+ 375.09933 183.4
[M+H-H2O]+ 319.13343 173.5
[M+HCOO]- 381.13437 198.3
[M+CH3COO]- 395.15002 210.3
[M+Na-2H]- 357.11084 179.4
[M]+ 336.13562 182.6
[M]- 336.13672 182.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.