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]+ 333.144476 177.7
[M+Na]+ 355.126418 184.0
[M-H]- 331.129924 184.2
[M+NH4]+ 350.171023 190.4
[M+K]+ 371.100358 183.8
[M+H-H2O]+ 315.134460 169.9
[M+HCOO]- 377.135401 198.6
[M+CH3COO]- 391.151051 209.2
[M+Na-2H]- 353.111866 180.5
[M]+ 332.13665142 183.5
[M]- 332.13774858 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.