CID 100344

4-oxazolecarboxamide, 5-methyl-2-phenyl-

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₂

SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)C(=O)N

InChI

InChI=1S/C11H10N2O2/c1-7-9(10(12)14)13-11(15-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,12,14)

InChIKey

XGEIAQCIGAIRAF-UHFFFAOYSA-N

Compound name

5-methyl-2-phenyl-1,3-oxazole-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 202.07423 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]+	203.081506	142.5
[M+Na]+	225.063448	151.3
[M-H]-	201.066954	148.9
[M+NH4]+	220.108053	160.2
[M+K]+	241.037388	149.7
[M+H-H2O]+	185.071490	135.3
[M+HCOO]-	247.072431	166.5
[M+CH3COO]-	261.088081	186.1
[M+Na-2H]-	223.048896	147.1
[M]+	202.07368142	143.0
[M]-	202.07477858	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe