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

literature stripe

Patent stripe

patents stripe