CID 3076174

130402-97-0

Structural Information

Molecular Formula
C15H18N2O2
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C2=NOC(=C2)C(C)C
InChI
InChI=1S/C15H18N2O2/c1-9(2)13-8-12(17-19-13)15(18)16-14-10(3)6-5-7-11(14)4/h5-9H,1-4H3,(H,16,18)
InChIKey
YCXHSHYWPDLECN-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.13684 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.14412 161.2
[M+Na]+ 281.12606 169.0
[M-H]- 257.12956 168.0
[M+NH4]+ 276.17066 177.3
[M+K]+ 297.10000 167.3
[M+H-H2O]+ 241.13410 153.7
[M+HCOO]- 303.13504 183.5
[M+CH3COO]- 317.15069 200.3
[M+Na-2H]- 279.11151 162.9
[M]+ 258.13629 163.9
[M]- 258.13739 163.9
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.