CID 54706321

Nsc686386

Structural Information

Molecular Formula
C23H14O7
SMILES
C1=CC=C2C(=C1)C(=C(C(=O)O2)C(C3=CC=CO3)C4=C(C5=CC=CC=C5OC4=O)O)O
InChI
InChI=1S/C23H14O7/c24-20-12-6-1-3-8-14(12)29-22(26)18(20)17(16-10-5-11-28-16)19-21(25)13-7-2-4-9-15(13)30-23(19)27/h1-11,17,24-25H
InChIKey
DPCBACPQYAAEEZ-UHFFFAOYSA-N
Compound name
3-[furan-2-yl-(4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

402.07394 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.08122 191.0
[M+Na]+ 425.06316 202.4
[M-H]- 401.06666 204.1
[M+NH4]+ 420.10776 200.0
[M+K]+ 441.03710 201.3
[M+H-H2O]+ 385.07120 182.9
[M+HCOO]- 447.07214 209.4
[M+CH3COO]- 461.08779 202.7
[M+Na-2H]- 423.04861 195.9
[M]+ 402.07339 198.7
[M]- 402.07449 198.7
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.