CID 3076185

Brn 5821145

Structural Information

Molecular Formula
C16H20N2O2
SMILES
CC1=C(C(=CC=C1)C)N(C(C)C)C(=O)C2=NOC(=C2)C
InChI
InChI=1S/C16H20N2O2/c1-10(2)18(15-11(3)7-6-8-12(15)4)16(19)14-9-13(5)20-17-14/h6-10H,1-5H3
InChIKey
CELQMITYXXCVCX-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-5-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.15247 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.15975 165.3
[M+Na]+ 295.14169 172.8
[M-H]- 271.14519 173.4
[M+NH4]+ 290.18629 181.4
[M+K]+ 311.11563 172.3
[M+H-H2O]+ 255.14973 157.5
[M+HCOO]- 317.15067 187.7
[M+CH3COO]- 331.16632 206.7
[M+Na-2H]- 293.12714 165.7
[M]+ 272.15192 169.6
[M]- 272.15302 169.6
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.