CID 3073030

Brn 5823914

Structural Information

Molecular Formula
C14H14N2O4
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C2=CC(=NO2)C(=O)OC
InChI
InChI=1S/C14H14N2O4/c1-8-5-4-6-9(2)12(8)15-13(17)11-7-10(16-20-11)14(18)19-3/h4-7H,1-3H3,(H,15,17)
InChIKey
MYIMEJBRIZBUTB-UHFFFAOYSA-N
Compound name
methyl 5-[(2,6-dimethylphenyl)carbamoyl]-1,2-oxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.09537 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.102646 161.2
[M+Na]+ 297.084588 169.5
[M-H]- 273.088094 168.3
[M+NH4]+ 292.129193 176.4
[M+K]+ 313.058528 168.7
[M+H-H2O]+ 257.092630 153.6
[M+HCOO]- 319.093571 184.5
[M+CH3COO]- 333.109221 200.2
[M+Na-2H]- 295.070036 163.6
[M]+ 274.09482142 165.6
[M]- 274.09591858 165.6
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.