CID 88600033

Nsc686387

Structural Information

Molecular Formula
C24H16O6
SMILES
C1C=CC(=C1)C(C2=C(C3=CC=CC=C3OC2=O)O)C4=C(C5=CC=CC=C5OC4=O)O
InChI
InChI=1S/C24H16O6/c25-21-14-9-3-5-11-16(14)29-23(27)19(21)18(13-7-1-2-8-13)20-22(26)15-10-4-6-12-17(15)30-24(20)28/h1,3-12,18,25-26H,2H2
InChIKey
CXVSZYPLASONIO-UHFFFAOYSA-N
Compound name
3-[cyclopenta-1,4-dien-1-yl-(4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

400.0947 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.10198 191.6
[M+Na]+ 423.08392 202.6
[M-H]- 399.08742 203.9
[M+NH4]+ 418.12852 202.1
[M+K]+ 439.05786 199.5
[M+H-H2O]+ 383.09196 183.3
[M+HCOO]- 445.09290 210.5
[M+CH3COO]- 459.10855 203.0
[M+Na-2H]- 421.06937 195.5
[M]+ 400.09415 197.6
[M]- 400.09525 197.6
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.