CID 5279955

N-(4-fluoro-3-methyl-phenyl)-3-isopropyl-5-methyl-isoxazole-4-carboxamide

Structural Information

Molecular Formula
C15H17FN2O2
SMILES
CC1=C(C=CC(=C1)NC(=O)C2=C(ON=C2C(C)C)C)F
InChI
InChI=1S/C15H17FN2O2/c1-8(2)14-13(10(4)20-18-14)15(19)17-11-5-6-12(16)9(3)7-11/h5-8H,1-4H3,(H,17,19)
InChIKey
JQKNESPACJLECB-UHFFFAOYSA-N
Compound name
N-(4-fluoro-3-methylphenyl)-5-methyl-3-propan-2-yl-1,2-oxazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

276.1274 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.13468 163.8
[M+Na]+ 299.11662 172.6
[M-H]- 275.12012 169.6
[M+NH4]+ 294.16122 179.4
[M+K]+ 315.09056 170.4
[M+H-H2O]+ 259.12466 155.6
[M+HCOO]- 321.12560 185.1
[M+CH3COO]- 335.14125 204.2
[M+Na-2H]- 297.10207 164.2
[M]+ 276.12685 165.9
[M]- 276.12795 165.9
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

patents stripe