CID 23624532

Methyl 5-amino-2-phenyl-1,3-oxazole-4-carboxylate

Structural Information

Molecular Formula
C11H10N2O3
SMILES
COC(=O)C1=C(OC(=N1)C2=CC=CC=C2)N
InChI
InChI=1S/C11H10N2O3/c1-15-11(14)8-9(12)16-10(13-8)7-5-3-2-4-6-7/h2-6H,12H2,1H3
InChIKey
CILSYVWPFVAWRR-UHFFFAOYSA-N
Compound name
methyl 5-amino-2-phenyl-1,3-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

218.06914 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.076416 145.5
[M+Na]+ 241.058358 154.3
[M-H]- 217.061864 152.0
[M+NH4]+ 236.102963 162.6
[M+K]+ 257.032298 153.3
[M+H-H2O]+ 201.066400 138.2
[M+HCOO]- 263.067341 169.8
[M+CH3COO]- 277.082991 187.6
[M+Na-2H]- 239.043806 150.3
[M]+ 218.06859142 147.4
[M]- 218.06968858 147.4
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