CID 216892

N-(3-(2-thienyl)-5-isoxazolyl)benzamide

Structural Information

Molecular Formula

C₁₄H₁₀N₂O₂S

SMILES

C1=CC=C(C=C1)C(=O)NC2=CC(=NO2)C3=CC=CS3

InChI

InChI=1S/C14H10N2O2S/c17-14(10-5-2-1-3-6-10)15-13-9-11(16-18-13)12-7-4-8-19-12/h1-9H,(H,15,17)

InChIKey

SDGIIDCAEJEHGF-UHFFFAOYSA-N

Compound name

N-(3-thiophen-2-yl-1,2-oxazol-5-yl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 270.0463 Da
Monoisotopic Mass: 2.9
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]+	271.053576	158.7
[M+Na]+	293.035518	168.7
[M-H]-	269.039024	169.6
[M+NH4]+	288.080123	176.3
[M+K]+	309.009458	165.7
[M+H-H2O]+	253.043560	151.9
[M+HCOO]-	315.044501	181.4
[M+CH3COO]-	329.060151	172.5
[M+Na-2H]-	291.020966	161.2
[M]+	270.04575142	163.2
[M]-	270.04684858	163.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.