CID 484979

Chembl67851

Structural Information

Molecular Formula
C26H18O4
SMILES
C1CC2=CC=C3C4=C(C=CC1=C24)C(=O)OC3(C5=CC=C(C=C5)O)C6=CC=C(C=C6)O
InChI
InChI=1S/C26H18O4/c27-19-9-5-17(6-10-19)26(18-7-11-20(28)12-8-18)22-14-4-16-2-1-15-3-13-21(25(29)30-26)24(22)23(15)16/h3-14,27-28H,1-2H2
InChIKey
KXXTXVWQWURROS-UHFFFAOYSA-N
Compound name
7,7-bis(4-hydroxyphenyl)-6-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

394.1205 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.12778 192.7
[M+Na]+ 417.10972 201.3
[M-H]- 393.11322 202.3
[M+NH4]+ 412.15432 207.9
[M+K]+ 433.08366 195.4
[M+H-H2O]+ 377.11776 183.0
[M+HCOO]- 439.11870 206.4
[M+CH3COO]- 453.13435 202.4
[M+Na-2H]- 415.09517 196.6
[M]+ 394.11995 194.0
[M]- 394.12105 194.0
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.