CID 2744550

99984-65-3

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₂

SMILES

CC1=CC(=NO1)C(=O)NC2=CC=CC=C2

InChI

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

InChIKey

GTLOCKIDPCWRKU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 16
Patents: 202.07423 Da
Monoisotopic Mass: 2.0
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	142.2
[M+Na]+	225.063448	150.2
[M-H]-	201.066954	148.7
[M+NH4]+	220.108053	160.0
[M+K]+	241.037388	148.9
[M+H-H2O]+	185.071490	134.7
[M+HCOO]-	247.072431	166.9
[M+CH3COO]-	261.088081	184.9
[M+Na-2H]-	223.048896	148.6
[M]+	202.07368142	143.2
[M]-	202.07477858	143.2

Literature stripe

literature stripe

Patent stripe

patents stripe