CID 12120398

600727-94-4

Structural Information

Molecular Formula

C₁₂H₁₃N₃O₃

SMILES

COC1=CC(=NC(=C1)C2=NCCO2)C3=NCCO3

InChI

InChI=1S/C12H13N3O3/c1-16-8-6-9(11-13-2-4-17-11)15-10(7-8)12-14-3-5-18-12/h6-7H,2-5H2,1H3

InChIKey

XXLPHNXUUWGBOQ-UHFFFAOYSA-N

Compound name

2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-4-methoxy-2-pyridinyl]-4,5-dihydro-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 247.09569 Da
Monoisotopic Mass: 0.6
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]+	248.102966	151.4
[M+Na]+	270.084908	159.7
[M-H]-	246.088414	158.8
[M+NH4]+	265.129513	165.0
[M+K]+	286.058848	159.7
[M+H-H2O]+	230.092950	142.7
[M+HCOO]-	292.093891	171.2
[M+CH3COO]-	306.109541	164.1
[M+Na-2H]-	268.070356	154.6
[M]+	247.09514142	153.7
[M]-	247.09623858	153.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.