CID 55844

Brn 0218781

Structural Information

Molecular Formula

C₁₂H₁₃N₃O₂

SMILES

CC1=C(ON=C1C)NC(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C12H13N3O2/c1-7-8(2)15-17-12(7)14-11(16)9-3-5-10(13)6-4-9/h3-6H,13H2,1-2H3,(H,14,16)

InChIKey

RNASZWMWORKEHC-UHFFFAOYSA-N

Compound name

4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 231.10077 Da
Monoisotopic Mass: 1.3
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]+	232.10805	152.0
[M+Na]+	254.08999	160.5
[M-H]-	230.09349	158.6
[M+NH4]+	249.13459	168.5
[M+K]+	270.06393	158.5
[M+H-H2O]+	214.09803	144.3
[M+HCOO]-	276.09897	176.6
[M+CH3COO]-	290.11462	194.9
[M+Na-2H]-	252.07544	155.8
[M]+	231.10022	152.5
[M]-	231.10132	152.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.