CID 3076180

Brn 5821586

Structural Information

Molecular Formula
C17H22N2O2
SMILES
CC1=CC(=NO1)C(=O)NC2=C(C=CC=C2C(C)C)C(C)C
InChI
InChI=1S/C17H22N2O2/c1-10(2)13-7-6-8-14(11(3)4)16(13)18-17(20)15-9-12(5)21-19-15/h6-11H,1-5H3,(H,18,20)
InChIKey
SEBMMMUGQYFJBT-UHFFFAOYSA-N
Compound name
N-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.16812 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.17540 170.7
[M+Na]+ 309.15734 177.3
[M-H]- 285.16084 177.2
[M+NH4]+ 304.20194 185.5
[M+K]+ 325.13128 175.7
[M+H-H2O]+ 269.16538 162.9
[M+HCOO]- 331.16632 191.3
[M+CH3COO]- 345.18197 207.2
[M+Na-2H]- 307.14279 170.1
[M]+ 286.16757 173.5
[M]- 286.16867 173.5
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.