CID 154699494

Ns00117259

Structural Information

Molecular Formula

C₁₇H₁₅NO₅

SMILES

COC1=CC(=CC(=C1OC)O)C(=O)C2=CNC3=C2C=CC(=C3)O

InChI

InChI=1S/C17H15NO5/c1-22-15-6-9(5-14(20)17(15)23-2)16(21)12-8-18-13-7-10(19)3-4-11(12)13/h3-8,18-20H,1-2H3

InChIKey

AWOJHOZYTSBGDR-UHFFFAOYSA-N

Compound name

(3-hydroxy-4,5-dimethoxyphenyl)-(6-hydroxy-1H-indol-3-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 313.09503 Da
Monoisotopic Mass: 2.6
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]+	314.102306	169.1
[M+Na]+	336.084248	179.0
[M-H]-	312.087754	173.1
[M+NH4]+	331.128853	183.5
[M+K]+	352.058188	174.5
[M+H-H2O]+	296.092290	162.1
[M+HCOO]-	358.093231	188.6
[M+CH3COO]-	372.108881	200.5
[M+Na-2H]-	334.069696	171.2
[M]+	313.09448142	173.1
[M]-	313.09557858	173.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.