CID 118726654

5-(7,10-dihydro-5-hydroxy-8-methylfuro[2,3-g][1]benzoxepin-2-yl)-1,3-benzenediol

Structural Information

Molecular Formula
C19H16O5
SMILES
CC1=CCC2=C3C(=CC(=C2OC1)O)C=C(O3)C4=CC(=CC(=C4)O)O
InChI
InChI=1S/C19H16O5/c1-10-2-3-15-18-12(6-16(22)19(15)23-9-10)7-17(24-18)11-4-13(20)8-14(21)5-11/h2,4-8,20-22H,3,9H2,1H3
InChIKey
FQHZBTIVEUAARU-UHFFFAOYSA-N
Compound name
5-(5-hydroxy-8-methyl-7,10-dihydrofuro[2,3-g][1]benzoxepin-2-yl)benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

324.09976 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.10704 172.9
[M+Na]+ 347.08898 182.4
[M-H]- 323.09248 181.9
[M+NH4]+ 342.13358 186.3
[M+K]+ 363.06292 183.9
[M+H-H2O]+ 307.09702 168.9
[M+HCOO]- 369.09796 190.0
[M+CH3COO]- 383.11361 184.6
[M+Na-2H]- 345.07443 177.1
[M]+ 324.09921 174.4
[M]- 324.10031 174.4
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.