CID 637127

6'',6''-dimethylpyrano[2'',3'':6',5']-2'-hydroxy-3,4,4'-trimethoxychalcone

Structural Information

Molecular Formula
C23H24O6
SMILES
CC1(C=CC2=C(C=C(C(=C2O1)C(=O)/C=C/C3=CC(=C(C=C3)OC)OC)O)OC)C
InChI
InChI=1S/C23H24O6/c1-23(2)11-10-15-19(27-4)13-17(25)21(22(15)29-23)16(24)8-6-14-7-9-18(26-3)20(12-14)28-5/h6-13,25H,1-5H3/b8-6+
InChIKey
MYVVQLOQHTYUSA-SOFGYWHQSA-N
Compound name
(E)-3-(3,4-dimethoxyphenyl)-1-(7-hydroxy-5-methoxy-2,2-dimethylchromen-8-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.1573 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.16458 193.5
[M+Na]+ 419.14652 202.2
[M-H]- 395.15002 201.0
[M+NH4]+ 414.19112 206.1
[M+K]+ 435.12046 200.2
[M+H-H2O]+ 379.15456 185.1
[M+HCOO]- 441.15550 211.0
[M+CH3COO]- 455.17115 222.9
[M+Na-2H]- 417.13197 195.5
[M]+ 396.15675 201.1
[M]- 396.15785 201.1
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.