CID 5319891

73338-87-1

Structural Information

Molecular Formula
C20H18O5
SMILES
CC1=CCC2=C3C(=C(C=C2OC1)OC)C=C(O3)C4=CC(=CC(=C4)O)O
InChI
InChI=1S/C20H18O5/c1-11-3-4-15-19(24-10-11)9-18(23-2)16-8-17(25-20(15)16)12-5-13(21)7-14(22)6-12/h3,5-9,21-22H,4,10H2,1-2H3
InChIKey
QRLJHLHVDMQXPO-UHFFFAOYSA-N
Compound name
5-(4-methoxy-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

1
Patents

338.11542 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12270 177.1
[M+Na]+ 361.10464 186.7
[M-H]- 337.10814 187.2
[M+NH4]+ 356.14924 190.7
[M+K]+ 377.07858 188.6
[M+H-H2O]+ 321.11268 172.8
[M+HCOO]- 383.11362 195.3
[M+CH3COO]- 397.12927 189.1
[M+Na-2H]- 359.09009 181.1
[M]+ 338.11487 180.5
[M]- 338.11597 180.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.