CID 6475630

Nsc692284

Structural Information

Molecular Formula
C25H22O5
SMILES
C/C=C(\C)/C(=O)C1=C2C(=C3C(=C1O)C=CC(O3)(C)C)C(=CC(=O)O2)C4=CC=CC=C4
InChI
InChI=1S/C25H22O5/c1-5-14(2)21(27)20-22(28)16-11-12-25(3,4)30-23(16)19-17(13-18(26)29-24(19)20)15-9-7-6-8-10-15/h5-13,28H,1-4H3/b14-5+
InChIKey
FJRAMOHKDFZZBL-LHHJGKSTSA-N
Compound name
5-hydroxy-2,2-dimethyl-6-[(E)-2-methylbut-2-enoyl]-10-phenylpyrano[2,3-f]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

402.14673 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.15401 197.0
[M+Na]+ 425.13595 206.4
[M-H]- 401.13945 206.1
[M+NH4]+ 420.18055 208.6
[M+K]+ 441.10989 203.8
[M+H-H2O]+ 385.14399 187.9
[M+HCOO]- 447.14493 211.2
[M+CH3COO]- 461.16058 225.6
[M+Na-2H]- 423.12140 199.7
[M]+ 402.14618 201.6
[M]- 402.14728 201.6
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.