CID 67306387

1117893-60-3

Structural Information

Molecular Formula
C14H16N2O5
SMILES
C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CO
InChI
InChI=1S/C14H16N2O5/c17-8-12-7-16(14(19)21-12)11-3-1-10(2-4-11)15-5-6-20-9-13(15)18/h1-4,12,17H,5-9H2/t12-/m1/s1
InChIKey
IJAUNHREBQZLMU-GFCCVEGCSA-N
Compound name
4-[4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

292.10593 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.11321 165.3
[M+Na]+ 315.09515 171.6
[M-H]- 291.09865 172.1
[M+NH4]+ 310.13975 175.9
[M+K]+ 331.06909 170.5
[M+H-H2O]+ 275.10319 156.7
[M+HCOO]- 337.10413 179.9
[M+CH3COO]- 351.11978 196.9
[M+Na-2H]- 313.08060 166.1
[M]+ 292.10538 163.2
[M]- 292.10648 163.2
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