CID 3073027

145441-09-4

Structural Information

Molecular Formula
C13H14N2O3
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C2=CC(=NO2)OC
InChI
InChI=1S/C13H14N2O3/c1-8-5-4-6-9(2)12(8)14-13(16)10-7-11(17-3)15-18-10/h4-7H,1-3H3,(H,14,16)
InChIKey
DBGOPMPWDBWPEO-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-3-methoxy-1,2-oxazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.10045 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.10773 154.4
[M+Na]+ 269.08967 163.3
[M-H]- 245.09317 161.5
[M+NH4]+ 264.13427 171.0
[M+K]+ 285.06361 162.1
[M+H-H2O]+ 229.09771 146.9
[M+HCOO]- 291.09865 178.6
[M+CH3COO]- 305.11430 195.5
[M+Na-2H]- 267.07512 158.4
[M]+ 246.09990 158.4
[M]- 246.10100 158.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.