CID 2811734

Oprea1_283257

Structural Information

Molecular Formula

C₁₂H₁₅N₃O₂

SMILES

CC1=CC(=C(O1)C)C(=O)NC2=CC(=NN2C)C

InChI

InChI=1S/C12H15N3O2/c1-7-5-11(15(4)14-7)13-12(16)10-6-8(2)17-9(10)3/h5-6H,1-4H3,(H,13,16)

InChIKey

QFMJZFZCSVSVOL-UHFFFAOYSA-N

Compound name

N-(2,5-dimethylpyrazol-3-yl)-2,5-dimethylfuran-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 233.11642 Da
Monoisotopic Mass: 1.7
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]+	234.123696	151.4
[M+Na]+	256.105638	162.4
[M-H]-	232.109144	158.1
[M+NH4]+	251.150243	169.4
[M+K]+	272.079578	160.9
[M+H-H2O]+	216.113680	144.4
[M+HCOO]-	278.114621	176.5
[M+CH3COO]-	292.130271	194.3
[M+Na-2H]-	254.091086	153.5
[M]+	233.11587142	156.8
[M]-	233.11696858	156.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.