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

No literature data available for this compound.

Patent stripe

patents stripe