CID 3052891

69382-13-4

Structural Information

Molecular Formula
C13H13FN2O2
SMILES
CCNC(=O)C1=C(OC(=N1)C2=CC(=CC=C2)F)C
InChI
InChI=1S/C13H13FN2O2/c1-3-15-12(17)11-8(2)18-13(16-11)9-5-4-6-10(14)7-9/h4-7H,3H2,1-2H3,(H,15,17)
InChIKey
XDOGKNJKYNWTGB-UHFFFAOYSA-N
Compound name
N-ethyl-2-(3-fluorophenyl)-5-methyl-1,3-oxazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.0961 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.10338 154.3
[M+Na]+ 271.08532 163.3
[M-H]- 247.08882 159.9
[M+NH4]+ 266.12992 170.8
[M+K]+ 287.05926 161.1
[M+H-H2O]+ 231.09336 146.0
[M+HCOO]- 293.09430 177.2
[M+CH3COO]- 307.10995 196.0
[M+Na-2H]- 269.07077 157.6
[M]+ 248.09555 155.8
[M]- 248.09665 155.8
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.