CID 3347979

Demethylmedicarpin

Structural Information

Molecular Formula

C₁₅H₁₂O₄

SMILES

C1C2C(C3=C(O1)C=C(C=C3)O)OC4=C2C=CC(=C4)O

InChI

InChI=1S/C15H12O4/c16-8-2-4-11-13(5-8)18-7-12-10-3-1-9(17)6-14(10)19-15(11)12/h1-6,12,15-17H,7H2

InChIKey

ODMIEGVTNZNSLD-UHFFFAOYSA-N

Compound name

6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 8
References: 21
Patents: 256.07355 Da
Monoisotopic Mass: 2.3
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]+	257.08083	151.2
[M+Na]+	279.06277	160.9
[M-H]-	255.06627	156.9
[M+NH4]+	274.10737	169.5
[M+K]+	295.03671	158.5
[M+H-H2O]+	239.07081	146.1
[M+HCOO]-	301.07175	166.9
[M+CH3COO]-	315.08740	164.0
[M+Na-2H]-	277.04822	158.7
[M]+	256.07300	152.6
[M]-	256.07410	152.6

Literature stripe

literature stripe

Patent stripe

patents stripe