CID 135010663

Eranthin

Structural Information

Molecular Formula

C₁₅H₁₄O₅

SMILES

CC1=CC(=O)C2=C(O1)C3=C(C=C2O)OCC(=CC3)CO

InChI

InChI=1S/C15H14O5/c1-8-4-11(17)14-12(18)5-13-10(15(14)20-8)3-2-9(6-16)7-19-13/h2,4-5,16,18H,3,6-7H2,1H3

InChIKey

IAMAGCYHFCOILS-UHFFFAOYSA-N

Compound name

5-hydroxy-9-(hydroxymethyl)-2-methyl-8,11-dihydropyrano[2,3-g][1]benzoxepin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 274.08414 Da
Monoisotopic Mass: 1.4
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]+	275.091416	155.3
[M+Na]+	297.073358	164.2
[M-H]-	273.076864	161.8
[M+NH4]+	292.117963	169.6
[M+K]+	313.047298	167.3
[M+H-H2O]+	257.081400	151.0
[M+HCOO]-	319.082341	172.0
[M+CH3COO]-	333.097991	167.6
[M+Na-2H]-	295.058806	162.6
[M]+	274.08359142	156.5
[M]-	274.08468858	156.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.