CID 6449224

Brn 4776082

Structural Information

Molecular Formula
C42H26O8
SMILES
C1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC(=O)/C=C/C4=CC=C(C=C4)/C=C/C(=O)OC5=CC6=C(C(=O)C(=CO6)C7=CC=CC=C7)C=C5
InChI
InChI=1S/C42H26O8/c43-39(49-31-17-19-33-37(23-31)47-25-35(41(33)45)29-7-3-1-4-8-29)21-15-27-11-13-28(14-12-27)16-22-40(44)50-32-18-20-34-38(24-32)48-26-36(42(34)46)30-9-5-2-6-10-30/h1-26H/b21-15+,22-16+
InChIKey
XSOZJXGOHRVJDF-YHARCJFQSA-N
Compound name
(4-oxo-3-phenylchromen-7-yl) (E)-3-[4-[(E)-3-oxo-3-(4-oxo-3-phenylchromen-7-yl)oxyprop-1-enyl]phenyl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

658.1628 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 659.17008 258.0
[M+Na]+ 681.15202 279.1
[M+NH4]+ 676.19662 262.7
[M+K]+ 697.12596 267.6
[M-H]- 657.15552 271.1
[M+Na-2H]- 679.13747 269.2
[M]+ 658.16225 265.2
[M]- 658.16335 265.2
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.