CID 15389227

Bis(6'',6''-dimethyl-4'',5''-dihydropyrano)[2'',3'':4',5'][2'',3'':4,3]-2'-hydroxychalcone

Structural Information

Molecular Formula
C25H28O4
SMILES
CC1(CCC2=CC(=C(C=C2O1)O)C(=O)/C=C/C3=CC4=C(C=C3)OC(CC4)(C)C)C
InChI
InChI=1S/C25H28O4/c1-24(2)11-9-17-13-16(6-8-22(17)28-24)5-7-20(26)19-14-18-10-12-25(3,4)29-23(18)15-21(19)27/h5-8,13-15,27H,9-12H2,1-4H3/b7-5+
InChIKey
BQMZTQFILQAXNK-FNORWQNLSA-N
Compound name
(E)-3-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-1-(7-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.19876 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.20604 196.3
[M+Na]+ 415.18798 203.3
[M-H]- 391.19148 204.0
[M+NH4]+ 410.23258 210.2
[M+K]+ 431.16192 200.4
[M+H-H2O]+ 375.19602 187.4
[M+HCOO]- 437.19696 206.9
[M+CH3COO]- 451.21261 205.2
[M+Na-2H]- 413.17343 199.0
[M]+ 392.19821 196.5
[M]- 392.19931 196.5
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.