CID 5350925

Chembl238633

Structural Information

Molecular Formula
C25H16O5
SMILES
C1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2OC(=O)C3=CC4=CC=CC=C4OC3=O
InChI
InChI=1S/C25H16O5/c26-21(17-8-2-1-3-9-17)15-14-18-10-4-6-12-22(18)29-24(27)20-16-19-11-5-7-13-23(19)30-25(20)28/h1-16H/b15-14+
InChIKey
LGYMCMLQHRASQN-CCEZHUSRSA-N
Compound name
[2-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] 2-oxochromene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

396.09976 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.10704 193.9
[M+Na]+ 419.08898 200.9
[M-H]- 395.09248 204.9
[M+NH4]+ 414.13358 203.3
[M+K]+ 435.06292 196.9
[M+H-H2O]+ 379.09702 183.1
[M+HCOO]- 441.09796 213.8
[M+CH3COO]- 455.11361 220.5
[M+Na-2H]- 417.07443 197.5
[M]+ 396.09921 196.9
[M]- 396.10031 196.9
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

No patent data available for this compound.