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]+ 273.159746 165.3
[M+Na]+ 295.141688 172.8
[M-H]- 271.145194 173.4
[M+NH4]+ 290.186293 181.4
[M+K]+ 311.115628 172.3
[M+H-H2O]+ 255.149730 157.5
[M+HCOO]- 317.150671 187.7
[M+CH3COO]- 331.166321 206.7
[M+Na-2H]- 293.127136 165.7
[M]+ 272.15192142 169.6
[M]- 272.15301858 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.