CID 116193

Brn 1014999

Structural Information

Molecular Formula

C₁₇H₁₃NO₃

SMILES

C1CC2=CC=CC=C2C3(C4=CC=CC=C41)C(=O)NC(=O)O3

InChI

InChI=1S/C17H13NO3/c19-15-17(21-16(20)18-15)13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-8H,9-10H2,(H,18,19,20)

InChIKey

SYARWWXCNNFEHU-UHFFFAOYSA-N

Compound name

spiro[1,3-oxazolidine-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 279.08954 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]+	280.096816	162.1
[M+Na]+	302.078758	170.7
[M-H]-	278.082264	169.3
[M+NH4]+	297.123363	179.8
[M+K]+	318.052698	168.7
[M+H-H2O]+	262.086800	156.0
[M+HCOO]-	324.087741	178.3
[M+CH3COO]-	338.103391	173.5
[M+Na-2H]-	300.064206	167.7
[M]+	279.08899142	157.7
[M]-	279.09008858	157.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.