CID 641376

Moracin n

Structural Information

Molecular Formula

C₁₉H₁₈O₄

SMILES

CC(=CCC1=C(C=C2C(=C1)C=C(O2)C3=CC(=CC(=C3)O)O)O)C

InChI

InChI=1S/C19H18O4/c1-11(2)3-4-12-5-13-8-18(23-19(13)10-17(12)22)14-6-15(20)9-16(21)7-14/h3,5-10,20-22H,4H2,1-2H3

InChIKey

WBSCSIABHGPAMC-UHFFFAOYSA-N

Compound name

5-[6-hydroxy-5-(3-methylbut-2-enyl)-1-benzofuran-2-yl]benzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 17
References: 13
Patents: 310.1205 Da
Monoisotopic Mass: 4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	311.127776	172.1
[M+Na]+	333.109718	181.8
[M-H]-	309.113224	177.9
[M+NH4]+	328.154323	187.0
[M+K]+	349.083658	177.1
[M+H-H2O]+	293.117760	166.0
[M+HCOO]-	355.118701	191.2
[M+CH3COO]-	369.134351	201.0
[M+Na-2H]-	331.095166	173.7
[M]+	310.11995142	175.4
[M]-	310.12104858	175.4

Literature stripe

literature stripe

Patent stripe

patents stripe