CID 12560199

2',4'-dihydroxy-3',6'',6''-trimethylpyrano[2'',3'':6',5']chalcone

Structural Information

Molecular Formula
C21H20O4
SMILES
CC1=C(C2=C(C(=C1O)C(=O)/C=C/C3=CC=CC=C3)OC(C=C2)(C)C)O
InChI
InChI=1S/C21H20O4/c1-13-18(23)15-11-12-21(2,3)25-20(15)17(19(13)24)16(22)10-9-14-7-5-4-6-8-14/h4-12,23-24H,1-3H3/b10-9+
InChIKey
ADEFODYSLAAMOM-MDZDMXLPSA-N
Compound name
(E)-1-(5,7-dihydroxy-2,2,6-trimethylchromen-8-yl)-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

336.13617 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.143446 179.6
[M+Na]+ 359.125388 188.4
[M-H]- 335.128894 185.9
[M+NH4]+ 354.169993 194.0
[M+K]+ 375.099328 184.3
[M+H-H2O]+ 319.133430 172.3
[M+HCOO]- 381.134371 196.0
[M+CH3COO]- 395.150021 209.0
[M+Na-2H]- 357.110836 182.5
[M]+ 336.13562142 181.4
[M]- 336.13671858 181.4
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.