CID 162168

59399-41-6

Structural Information

Molecular Formula
C15H16ClNO4
SMILES
CCOC1=C(N=C(O1)C2=CC=C(C=C2)Cl)CC(=O)OCC
InChI
InChI=1S/C15H16ClNO4/c1-3-19-13(18)9-12-15(20-4-2)21-14(17-12)10-5-7-11(16)8-6-10/h5-8H,3-4,9H2,1-2H3
InChIKey
UIIVBIAACZGMEI-UHFFFAOYSA-N
Compound name
ethyl 2-[2-(4-chlorophenyl)-5-ethoxy-1,3-oxazol-4-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

16
Patents

309.07678 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.084056 168.7
[M+Na]+ 332.065998 178.1
[M-H]- 308.069504 175.2
[M+NH4]+ 327.110603 183.8
[M+K]+ 348.039938 175.3
[M+H-H2O]+ 292.074040 161.5
[M+HCOO]- 354.074981 186.6
[M+CH3COO]- 368.090631 202.2
[M+Na-2H]- 330.051446 170.7
[M]+ 309.07623142 177.5
[M]- 309.07732858 177.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe