CID 14539884

Chembl380456

Structural Information

Molecular Formula
C19H18O5
SMILES
CC1(C(CC2=C(O1)C=C3C(=C2)C=C(O3)C4=CC(=CC(=C4)O)O)O)C
InChI
InChI=1S/C19H18O5/c1-19(2)18(22)7-11-3-10-6-15(23-16(10)9-17(11)24-19)12-4-13(20)8-14(21)5-12/h3-6,8-9,18,20-22H,7H2,1-2H3
InChIKey
QFUCSEIKNTUPPA-UHFFFAOYSA-N
Compound name
5-(6-hydroxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-2-yl)benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

20
References

14
Patents

326.11542 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.12270 173.6
[M+Na]+ 349.10464 184.7
[M-H]- 325.10814 181.3
[M+NH4]+ 344.14924 189.7
[M+K]+ 365.07858 181.8
[M+H-H2O]+ 309.11268 167.8
[M+HCOO]- 371.11362 189.5
[M+CH3COO]- 385.12927 185.7
[M+Na-2H]- 347.09009 178.6
[M]+ 326.11487 177.4
[M]- 326.11597 177.4
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.