CID 19768737

127919-68-0

Structural Information

Molecular Formula
C12H11FN2O3
SMILES
CCOC(=O)C1=NOC(=C1C2=CC=C(C=C2)F)N
InChI
InChI=1S/C12H11FN2O3/c1-2-17-12(16)10-9(11(14)18-15-10)7-3-5-8(13)6-4-7/h3-6H,2,14H2,1H3
InChIKey
AEZZMQHPJAMZDY-UHFFFAOYSA-N
Compound name
ethyl 5-amino-4-(4-fluorophenyl)-1,2-oxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

250.07536 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.08264 152.9
[M+Na]+ 273.06458 162.2
[M-H]- 249.06808 158.2
[M+NH4]+ 268.10918 168.9
[M+K]+ 289.03852 160.4
[M+H-H2O]+ 233.07262 144.6
[M+HCOO]- 295.07356 175.8
[M+CH3COO]- 309.08921 194.6
[M+Na-2H]- 271.05003 155.8
[M]+ 250.07481 154.5
[M]- 250.07591 154.5
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

patents stripe