CID 3076172

Brn 5817304

Structural Information

Molecular Formula
C13H16N2O2
SMILES
CC1CC(=NO1)C(=O)NC2=C(C=CC=C2C)C
InChI
InChI=1S/C13H16N2O2/c1-8-5-4-6-9(2)12(8)14-13(16)11-7-10(3)17-15-11/h4-6,10H,7H2,1-3H3,(H,14,16)
InChIKey
AXMJHTHFYVSXMH-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-5-methyl-4,5-dihydro-1,2-oxazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

232.12119 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.12847 153.0
[M+Na]+ 255.11041 160.9
[M-H]- 231.11391 159.6
[M+NH4]+ 250.15501 170.1
[M+K]+ 271.08435 159.3
[M+H-H2O]+ 215.11845 145.7
[M+HCOO]- 277.11939 175.5
[M+CH3COO]- 291.13504 193.7
[M+Na-2H]- 253.09586 155.9
[M]+ 232.12064 154.1
[M]- 232.12174 154.1
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