CID 2811739

Maybridge3_002167

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₃

SMILES

CC1=CC(=C(O1)C)C(=O)NC2=CC(=NO2)C

InChI

InChI=1S/C11H12N2O3/c1-6-4-10(16-13-6)12-11(14)9-5-7(2)15-8(9)3/h4-5H,1-3H3,(H,12,14)

InChIKey

HMRGFGODYOZJFI-UHFFFAOYSA-N

Compound name

2,5-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)furan-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 220.0848 Da
Monoisotopic Mass: 1.8
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]+	221.092076	146.7
[M+Na]+	243.074018	157.2
[M-H]-	219.077524	155.1
[M+NH4]+	238.118623	164.9
[M+K]+	259.047958	157.4
[M+H-H2O]+	203.082060	140.7
[M+HCOO]-	265.083001	172.6
[M+CH3COO]-	279.098651	189.7
[M+Na-2H]-	241.059466	150.9
[M]+	220.08425142	152.8
[M]-	220.08534858	152.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.