CID 3043482

Brn 0545635

Structural Information

Molecular Formula
C16H20N2O3
SMILES
C1CN(CCC1O)CC(C2=NOC(=C2)C3=CC=CC=C3)O
InChI
InChI=1S/C16H20N2O3/c19-13-6-8-18(9-7-13)11-15(20)14-10-16(21-17-14)12-4-2-1-3-5-12/h1-5,10,13,15,19-20H,6-9,11H2
InChIKey
FKOHMXLEMXUXTG-UHFFFAOYSA-N
Compound name
1-[2-hydroxy-2-(5-phenyl-1,2-oxazol-3-yl)ethyl]piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

288.1474 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.15468 168.3
[M+Na]+ 311.13662 179.8
[M+NH4]+ 306.18122 174.9
[M+K]+ 327.11056 176.3
[M-H]- 287.14012 172.7
[M+Na-2H]- 309.12207 174.2
[M]+ 288.14685 170.9
[M]- 288.14795 170.9
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

patents stripe