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]+ 337.143446 180.3
[M+Na]+ 359.125388 187.4
[M-H]- 335.128894 187.3
[M+NH4]+ 354.169993 194.8
[M+K]+ 375.099328 183.4
[M+H-H2O]+ 319.133430 173.5
[M+HCOO]- 381.134371 198.3
[M+CH3COO]- 395.150021 210.3
[M+Na-2H]- 357.110836 179.4
[M]+ 336.13562142 182.6
[M]- 336.13671858 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.