CID 484969

Chembl63528

Structural Information

Molecular Formula
C24H16O4
SMILES
C1=CC=C2C(=C1)C(=CC=C2O)C3(C4=CC=CC=C4C(=O)O3)C5=CC=C(C=C5)O
InChI
InChI=1S/C24H16O4/c25-16-11-9-15(10-12-16)24(20-8-4-3-7-19(20)23(27)28-24)21-13-14-22(26)18-6-2-1-5-17(18)21/h1-14,25-26H
InChIKey
XHDFWUKZNPYNNE-UHFFFAOYSA-N
Compound name
3-(4-hydroxynaphthalen-1-yl)-3-(4-hydroxyphenyl)-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.10486 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.11214 186.7
[M+Na]+ 391.09408 196.6
[M-H]- 367.09758 197.4
[M+NH4]+ 386.13868 201.7
[M+K]+ 407.06802 190.9
[M+H-H2O]+ 351.10212 178.1
[M+HCOO]- 413.10306 204.5
[M+CH3COO]- 427.11871 197.7
[M+Na-2H]- 389.07953 190.9
[M]+ 368.10431 187.6
[M]- 368.10541 187.6
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.