CID 3010065

7-methoxy-3-(7-methoxy-4-oxo-chroman-3-yl)-2-phenyl-chroman-4-one

Structural Information

Molecular Formula
C26H22O6
SMILES
COC1=CC2=C(C=C1)C(=O)C(CO2)C3C(OC4=C(C3=O)C=CC(=C4)OC)C5=CC=CC=C5
InChI
InChI=1S/C26H22O6/c1-29-16-8-10-18-21(12-16)31-14-20(24(18)27)23-25(28)19-11-9-17(30-2)13-22(19)32-26(23)15-6-4-3-5-7-15/h3-13,20,23,26H,14H2,1-2H3
InChIKey
PRLWAMMKMVNMDG-UHFFFAOYSA-N
Compound name
7-methoxy-3-(7-methoxy-4-oxo-2,3-dihydrochromen-3-yl)-2-phenyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.14163 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.14891 203.2
[M+Na]+ 453.13085 210.4
[M-H]- 429.13435 215.5
[M+NH4]+ 448.17545 211.4
[M+K]+ 469.10479 208.6
[M+H-H2O]+ 413.13889 191.6
[M+HCOO]- 475.13983 217.3
[M+CH3COO]- 489.15548 212.4
[M+Na-2H]- 451.11630 205.3
[M]+ 430.14108 205.9
[M]- 430.14218 205.9
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.