CID 125342451

1160170-03-5

Structural Information

Molecular Formula
C14H14N2O5
SMILES
C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)C=O
InChI
InChI=1S/C14H14N2O5/c17-8-12-7-16(14(19)21-12)11-3-1-10(2-4-11)15-5-6-20-9-13(15)18/h1-4,8,12H,5-7,9H2/t12-/m1/s1
InChIKey
UCLGSDDPMNXDBW-GFCCVEGCSA-N
Compound name
(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

290.09027 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.09755 163.6
[M+Na]+ 313.07949 170.6
[M-H]- 289.08299 171.8
[M+NH4]+ 308.12409 174.9
[M+K]+ 329.05343 169.8
[M+H-H2O]+ 273.08753 154.9
[M+HCOO]- 335.08847 179.9
[M+CH3COO]- 349.10412 198.5
[M+Na-2H]- 311.06494 164.8
[M]+ 290.08972 162.6
[M]- 290.09082 162.6
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