CID 13564503

2-phenylisoxazolo(4,5-c)quinolin-3(2h)-one

Structural Information

Molecular Formula

C₁₆H₁₀N₂O₂

SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(O2)C4=CC=CC=C4N=C3

InChI

InChI=1S/C16H10N2O2/c19-16-13-10-17-14-9-5-4-8-12(14)15(13)20-18(16)11-6-2-1-3-7-11/h1-10H

InChIKey

UBFZRACRSUKOKO-UHFFFAOYSA-N

Compound name

2-phenyl-[1,2]oxazolo[4,5-c]quinolin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 262.07422 Da
Monoisotopic Mass: 3.1
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]+	263.081496	155.8
[M+Na]+	285.063438	168.4
[M-H]-	261.066944	163.6
[M+NH4]+	280.108043	172.3
[M+K]+	301.037378	163.7
[M+H-H2O]+	245.071480	147.0
[M+HCOO]-	307.072421	178.1
[M+CH3COO]-	321.088071	169.5
[M+Na-2H]-	283.048886	164.9
[M]+	262.07367142	160.0
[M]-	262.07476858	160.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe