CID 3010066

[6,6'-bi-2h-1-benzopyran]-4,4'(3h,3'h)-dione, 5,7,7'-trimethoxy-2,2'-bis(4-methoxyphenyl)-

Structural Information

Molecular Formula
C35H32O9
SMILES
COC1=CC=C(C=C1)C2CC(=O)C3=C(C(=C(C=C3O2)OC)C4=CC5=C(C=C4OC)OC(CC5=O)C6=CC=C(C=C6)OC)OC
InChI
InChI=1S/C35H32O9/c1-38-21-10-6-19(7-11-21)27-15-25(36)23-14-24(29(40-3)17-30(23)43-27)33-31(41-4)18-32-34(35(33)42-5)26(37)16-28(44-32)20-8-12-22(39-2)13-9-20/h6-14,17-18,27-28H,15-16H2,1-5H3
InChIKey
ZJEACTDNEAMUTA-UHFFFAOYSA-N
Compound name
5,7-dimethoxy-6-[7-methoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

596.20465 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 597.21193 249.0
[M+Na]+ 619.19387 254.8
[M-H]- 595.19737 263.8
[M+NH4]+ 614.23847 249.7
[M+K]+ 635.16781 255.4
[M+H-H2O]+ 579.20191 233.7
[M+HCOO]- 641.20285 260.3
[M+CH3COO]- 655.21850 265.8
[M+Na-2H]- 617.17932 246.0
[M]+ 596.20410 256.8
[M]- 596.20520 256.8
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.