CID 14539883

Moracin o

Structural Information

Molecular Formula
C19H18O5
SMILES
CC(C)(C1CC2=C(O1)C=C3C(=C2)C=C(O3)C4=CC(=CC(=C4)O)O)O
InChI
InChI=1S/C19H18O5/c1-19(2,22)18-7-11-3-10-6-15(23-16(10)9-17(11)24-18)12-4-13(20)8-14(21)5-12/h3-6,8-9,18,20-22H,7H2,1-2H3
InChIKey
HMTMYIWMPJSCAZ-UHFFFAOYSA-N
Compound name
5-[6-(2-hydroxypropan-2-yl)-5,6-dihydrofuro[3,2-f][1]benzofuran-2-yl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

21
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 173.1
[M+Na]+ 349.10464 183.1
[M-H]- 325.10814 180.9
[M+NH4]+ 344.14924 188.8
[M+K]+ 365.07858 180.7
[M+H-H2O]+ 309.11268 169.4
[M+HCOO]- 371.11362 189.7
[M+CH3COO]- 385.12927 185.3
[M+Na-2H]- 347.09009 177.2
[M]+ 326.11487 177.9
[M]- 326.11597 177.9
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.