CID 497409

(5r)-5-(isoxazol-3-yloxymethyl)-3-(4-pyrrol-1-ylphenyl)oxazolidin-2-one

Structural Information

Molecular Formula
C17H15N3O4
SMILES
C1[C@@H](OC(=O)N1C2=CC=C(C=C2)N3C=CC=C3)COC4=NOC=C4
InChI
InChI=1S/C17H15N3O4/c21-17-20(11-15(24-17)12-22-16-7-10-23-18-16)14-5-3-13(4-6-14)19-8-1-2-9-19/h1-10,15H,11-12H2/t15-/m1/s1
InChIKey
MZUGESMNXJNNOK-OAHLLOKOSA-N
Compound name
(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-(4-pyrrol-1-ylphenyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

325.10626 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.11354 168.0
[M+Na]+ 348.09548 177.0
[M-H]- 324.09898 179.7
[M+NH4]+ 343.14008 180.0
[M+K]+ 364.06942 176.1
[M+H-H2O]+ 308.10352 159.7
[M+HCOO]- 370.10446 190.0
[M+CH3COO]- 384.12011 180.6
[M+Na-2H]- 346.08093 168.0
[M]+ 325.10571 172.9
[M]- 325.10681 172.9
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.