CID 454896

Ghl.pd_mitscher_leg0.215

Structural Information

Molecular Formula

C₁₇H₁₄O₅

SMILES

COC(=O)C1=C(C=CC2=C1C3COC4=CC=CC=C4C3O2)O

InChI

InChI=1S/C17H14O5/c1-20-17(19)15-11(18)6-7-13-14(15)10-8-21-12-5-3-2-4-9(12)16(10)22-13/h2-7,10,16,18H,8H2,1H3

InChIKey

HUEIDPMALRFMJO-UHFFFAOYSA-N

Compound name

methyl 8-hydroxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-7-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 298.08414 Da
Monoisotopic Mass: 3.0
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]+	299.091416	163.2
[M+Na]+	321.073358	172.1
[M-H]-	297.076864	169.9
[M+NH4]+	316.117963	180.1
[M+K]+	337.047298	170.7
[M+H-H2O]+	281.081400	157.4
[M+HCOO]-	343.082341	178.9
[M+CH3COO]-	357.097991	175.4
[M+Na-2H]-	319.058806	168.8
[M]+	298.08359142	166.8
[M]-	298.08468858	166.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.