CID 5319891

Moracin h

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 180.9
[M+Na]+ 361.10464 194.3
[M+NH4]+ 356.14924 188.0
[M+K]+ 377.07858 190.9
[M-H]- 337.10814 186.9
[M+Na-2H]- 359.09009 185.1
[M]+ 338.11487 184.8
[M]- 338.11597 184.8
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

patents stripe