CID 172287

Almoxatone

Structural Information

Molecular Formula
C18H19ClN2O3
SMILES
CNC[C@@H]1CN(C(=O)O1)C2=CC=C(C=C2)OCC3=CC(=CC=C3)Cl
InChI
InChI=1S/C18H19ClN2O3/c1-20-10-17-11-21(18(22)24-17)15-5-7-16(8-6-15)23-12-13-3-2-4-14(19)9-13/h2-9,17,20H,10-12H2,1H3/t17-/m1/s1
InChIKey
KYXSTSXVEXKFJI-QGZVFWFLSA-N
Compound name
(5R)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

151
Patents

346.10843 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.11571 181.5
[M+Na]+ 369.09765 189.1
[M-H]- 345.10115 190.4
[M+NH4]+ 364.14225 194.2
[M+K]+ 385.07159 184.5
[M+H-H2O]+ 329.10569 172.6
[M+HCOO]- 391.10663 198.6
[M+CH3COO]- 405.12228 211.7
[M+Na-2H]- 367.08310 182.8
[M]+ 346.10788 185.0
[M]- 346.10898 185.0
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.