CID 132660

Cs 722

Structural Information

Molecular Formula
C16H19ClN2O4
SMILES
C1COCCN1C[C@H](CN2C(=O)C(=C(O2)C3=CC=CC=C3)Cl)O
InChI
InChI=1S/C16H19ClN2O4/c17-14-15(12-4-2-1-3-5-12)23-19(16(14)21)11-13(20)10-18-6-8-22-9-7-18/h1-5,13,20H,6-11H2/t13-/m1/s1
InChIKey
NINUODAOHUBAAQ-CYBMUJFWSA-N
Compound name
4-chloro-2-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-5-phenyl-1,2-oxazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

14
Patents

338.10333 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.11061 177.1
[M+Na]+ 361.09255 183.8
[M-H]- 337.09605 183.7
[M+NH4]+ 356.13715 186.7
[M+K]+ 377.06649 180.9
[M+H-H2O]+ 321.10059 168.2
[M+HCOO]- 383.10153 187.8
[M+CH3COO]- 397.11718 186.9
[M+Na-2H]- 359.07800 177.5
[M]+ 338.10278 178.8
[M]- 338.10388 178.8
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.