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

34
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

literature stripe

Patent stripe

patents stripe