CID 65786

Profexalone

Structural Information

Molecular Formula
C13H16N2O3
SMILES
CCCNC(=O)N1CC(OC1=O)C2=CC=CC=C2
InChI
InChI=1S/C13H16N2O3/c1-2-8-14-12(16)15-9-11(18-13(15)17)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,14,16)
InChIKey
AUVLZBKTWSCAIM-UHFFFAOYSA-N
Compound name
2-oxo-5-phenyl-N-propyl-1,3-oxazolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

248.11609 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12337 156.5
[M+Na]+ 271.10531 162.7
[M-H]- 247.10881 162.3
[M+NH4]+ 266.14991 172.4
[M+K]+ 287.07925 161.3
[M+H-H2O]+ 231.11335 148.8
[M+HCOO]- 293.11429 177.9
[M+CH3COO]- 307.12994 193.5
[M+Na-2H]- 269.09076 159.2
[M]+ 248.11554 156.4
[M]- 248.11664 156.4
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