CID 2758806

391248-22-9

Structural Information

Molecular Formula
C17H20N2O5
SMILES
CCOC(=O)C1=C(OC=N1)C2=CC=C(C=C2)NC(=O)OC(C)(C)C
InChI
InChI=1S/C17H20N2O5/c1-5-22-15(20)13-14(23-10-18-13)11-6-8-12(9-7-11)19-16(21)24-17(2,3)4/h6-10H,5H2,1-4H3,(H,19,21)
InChIKey
LCRZRPSRAUNHSV-UHFFFAOYSA-N
Compound name
ethyl 5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1,3-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1372 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.14448 177.7
[M+Na]+ 355.12642 184.0
[M-H]- 331.12992 184.2
[M+NH4]+ 350.17102 190.4
[M+K]+ 371.10036 183.8
[M+H-H2O]+ 315.13446 169.9
[M+HCOO]- 377.13540 198.6
[M+CH3COO]- 391.15105 209.2
[M+Na-2H]- 353.11187 180.5
[M]+ 332.13665 183.5
[M]- 332.13775 183.5
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

No patent data available for this compound.