CID 5319890

Moracin g

Structural Information

Molecular Formula
C19H16O4
SMILES
CC1=CCC2=C(C=CC3=C2OC(=C3)C4=CC(=CC(=C4)O)O)OC1
InChI
InChI=1S/C19H16O4/c1-11-2-4-16-17(22-10-11)5-3-12-8-18(23-19(12)16)13-6-14(20)9-15(21)7-13/h2-3,5-9,20-21H,4,10H2,1H3
InChIKey
PRQYZCKJWCQXNM-UHFFFAOYSA-N
Compound name
5-(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

308.10486 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.11214 169.2
[M+Na]+ 331.09408 178.7
[M-H]- 307.09758 179.1
[M+NH4]+ 326.13868 183.8
[M+K]+ 347.06802 179.7
[M+H-H2O]+ 291.10212 165.1
[M+HCOO]- 353.10306 187.6
[M+CH3COO]- 367.11871 181.5
[M+Na-2H]- 329.07953 174.3
[M]+ 308.10431 170.6
[M]- 308.10541 170.6
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