CID 3073031

Brn 5816913

Structural Information

Molecular Formula

C₁₂H₁₃N₃O₂

SMILES

CC1=CC(=NO1)C(=O)NC2=C(C=NC=C2C)C

InChI

InChI=1S/C12H13N3O2/c1-7-5-13-6-8(2)11(7)14-12(16)10-4-9(3)17-15-10/h4-6H,1-3H3,(H,13,14,16)

InChIKey

HKGKMIOANKLVFC-UHFFFAOYSA-N

Compound name

N-(3,5-dimethyl-4-pyridinyl)-5-methyl-1,2-oxazole-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 231.10077 Da
Monoisotopic Mass: 1.6
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]+	232.108046	151.6
[M+Na]+	254.089988	161.0
[M-H]-	230.093494	157.3
[M+NH4]+	249.134593	167.4
[M+K]+	270.063928	159.2
[M+H-H2O]+	214.098030	143.5
[M+HCOO]-	276.098971	174.5
[M+CH3COO]-	290.114621	193.1
[M+Na-2H]-	252.075436	155.9
[M]+	231.10022142	154.3
[M]-	231.10131858	154.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.