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]+ 275.10265 161.2
[M+Na]+ 297.08459 169.5
[M-H]- 273.08809 168.3
[M+NH4]+ 292.12919 176.4
[M+K]+ 313.05853 168.7
[M+H-H2O]+ 257.09263 153.6
[M+HCOO]- 319.09357 184.5
[M+CH3COO]- 333.10922 200.2
[M+Na-2H]- 295.07004 163.6
[M]+ 274.09482 165.6
[M]- 274.09592 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.