CID 3076170

Brn 5816244

Structural Information

Molecular Formula
C14H16N2O2
SMILES
CCC1=CC(=NO1)C(=O)NC2=C(C=CC=C2C)C
InChI
InChI=1S/C14H16N2O2/c1-4-11-8-12(16-18-11)14(17)15-13-9(2)6-5-7-10(13)3/h5-8H,4H2,1-3H3,(H,15,17)
InChIKey
PRZRFAKXANJPHM-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-5-ethyl-1,2-oxazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

244.12119 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.12847 156.2
[M+Na]+ 267.11041 164.8
[M-H]- 243.11391 163.1
[M+NH4]+ 262.15501 173.0
[M+K]+ 283.08435 162.8
[M+H-H2O]+ 227.11845 148.7
[M+HCOO]- 289.11939 179.9
[M+CH3COO]- 303.13504 196.3
[M+Na-2H]- 265.09586 159.6
[M]+ 244.12064 159.2
[M]- 244.12174 159.2
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

patents stripe