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]+ 289.154676 166.8
[M+Na]+ 311.136618 171.2
[M-H]- 287.140124 171.3
[M+NH4]+ 306.181223 178.0
[M+K]+ 327.110558 168.1
[M+H-H2O]+ 271.144660 157.7
[M+HCOO]- 333.145601 181.4
[M+CH3COO]- 347.161251 176.2
[M+Na-2H]- 309.122066 167.7
[M]+ 288.14685142 162.9
[M]- 288.14794858 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

patents stripe