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 265.0
[M+Na]+ 681.15202 270.4
[M-H]- 657.15552 281.7
[M+NH4]+ 676.19662 261.3
[M+K]+ 697.12596 267.7
[M+H-H2O]+ 641.16006 247.4
[M+HCOO]- 703.16100 279.5
[M+CH3COO]- 717.17665 269.3
[M+Na-2H]- 679.13747 264.4
[M]+ 658.16225 270.2
[M]- 658.16335 270.2
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.