CID 3043590

Brn 0554192

Structural Information

Molecular Formula
C16H18N2O3
SMILES
C1CCN(C(=O)C1)CC(C2=NOC(=C2)C3=CC=CC=C3)O
InChI
InChI=1S/C16H18N2O3/c19-14(11-18-9-5-4-8-16(18)20)13-10-15(21-17-13)12-6-2-1-3-7-12/h1-3,6-7,10,14,19H,4-5,8-9,11H2
InChIKey
FVLSYMRRYHBBIC-UHFFFAOYSA-N
Compound name
1-[2-hydroxy-2-(5-phenyl-1,2-oxazol-3-yl)ethyl]piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.13174 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.13902 165.8
[M+Na]+ 309.12096 170.9
[M-H]- 285.12446 171.6
[M+NH4]+ 304.16556 177.7
[M+K]+ 325.09490 168.0
[M+H-H2O]+ 269.12900 156.4
[M+HCOO]- 331.12994 182.0
[M+CH3COO]- 345.14559 175.9
[M+Na-2H]- 307.10641 167.0
[M]+ 286.13119 162.9
[M]- 286.13229 162.9
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.