CID 58224166

Refchem:493910

Structural Information

Molecular Formula

C₁₅H₁₁NO₄

SMILES

C1OC2=C(O1)C=C(C(=C2)C3C4=CC=CC=C4NC3=O)O

InChI

InChI=1S/C15H11NO4/c17-11-6-13-12(19-7-20-13)5-9(11)14-8-3-1-2-4-10(8)16-15(14)18/h1-6,14,17H,7H2,(H,16,18)

InChIKey

DYKNSPFBRMMODE-UHFFFAOYSA-N

Compound name

3-(6-hydroxy-1,3-benzodioxol-5-yl)-1,3-dihydroindol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 269.06882 Da
Monoisotopic Mass: 1.9
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]+	270.076096	156.0
[M+Na]+	292.058038	165.7
[M-H]-	268.061544	162.9
[M+NH4]+	287.102643	172.8
[M+K]+	308.031978	162.8
[M+H-H2O]+	252.066080	150.8
[M+HCOO]-	314.067021	173.1
[M+CH3COO]-	328.082671	168.6
[M+Na-2H]-	290.043486	159.6
[M]+	269.06827142	156.7
[M]-	269.06936858	156.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe