CID 131753097

Omega-hydroxymoracin n

Structural Information

Molecular Formula
C19H18O5
SMILES
C/C(=C/CC1=C(C=C2C(=C1)C=C(O2)C3=CC(=CC(=C3)O)O)O)/CO
InChI
InChI=1S/C19H18O5/c1-11(10-20)2-3-12-4-13-7-18(24-19(13)9-17(12)23)14-5-15(21)8-16(22)6-14/h2,4-9,20-23H,3,10H2,1H3/b11-2-
InChIKey
GPKLNIVEGYWQJZ-FUQNDXKWSA-N
Compound name
5-[6-hydroxy-5-[(Z)-4-hydroxy-3-methylbut-2-enyl]-1-benzofuran-2-yl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

326.11542 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.12270 176.0
[M+Na]+ 349.10464 189.1
[M+NH4]+ 344.14924 182.1
[M+K]+ 365.07858 185.7
[M-H]- 325.10814 179.1
[M+Na-2H]- 347.09009 180.0
[M]+ 326.11487 178.7
[M]- 326.11597 178.7
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