CID 5742858

[3,8'-bi-2h-1-benzopyran]-4,4'(3h,3'h)-dione, 5,5',7,7'-tetramethoxy-2,2'-bis(4-methoxyphenyl)-

Structural Information

Molecular Formula
C30H20O10
SMILES
C1C(OC2=C(C1=O)C(=C(C(=C2)O)OC3=CC=C(C=C3)C4=CC(=O)C5=C(C=C(C=C5O4)O)O)O)C6=CC=C(C=C6)O
InChI
InChI=1S/C30H20O10/c31-16-5-1-14(2-6-16)24-12-21(35)28-26(40-24)13-22(36)30(29(28)37)38-18-7-3-15(4-8-18)23-11-20(34)27-19(33)9-17(32)10-25(27)39-23/h1-11,13,24,31-33,36-37H,12H2
InChIKey
DQAQPJCEVLMLPH-UHFFFAOYSA-N
Compound name
2-[4-[[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]oxy]phenyl]-5,7-dihydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

540.10565 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.11293 227.9
[M+Na]+ 563.09487 235.4
[M-H]- 539.09837 238.5
[M+NH4]+ 558.13947 228.0
[M+K]+ 579.06881 234.7
[M+H-H2O]+ 523.10291 215.1
[M+HCOO]- 585.10385 236.8
[M+CH3COO]- 599.11950 234.0
[M+Na-2H]- 561.08032 228.3
[M]+ 540.10510 231.1
[M]- 540.10620 231.1
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.