CID 3076175

130402-98-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.15247 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.15975 165.2
[M+Na]+ 295.14169 173.4
[M-H]- 271.14519 172.2
[M+NH4]+ 290.18629 181.1
[M+K]+ 311.11563 171.5
[M+H-H2O]+ 255.14973 158.2
[M+HCOO]- 317.15067 186.6
[M+CH3COO]- 331.16632 202.1
[M+Na-2H]- 293.12714 168.5
[M]+ 272.15192 168.4
[M]- 272.15302 168.4
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.