CID 202957

13586-52-2

Structural Information

Molecular Formula
C17H22N2O2
SMILES
C1CCN(CC1)CCC(C2=NOC(=C2)C3=CC=CC=C3)O
InChI
InChI=1S/C17H22N2O2/c20-16(9-12-19-10-5-2-6-11-19)15-13-17(21-18-15)14-7-3-1-4-8-14/h1,3-4,7-8,13,16,20H,2,5-6,9-12H2
InChIKey
DPNXNMDJRSSKHZ-UHFFFAOYSA-N
Compound name
1-(5-phenyl-1,2-oxazol-3-yl)-3-piperidin-1-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.16812 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.17540 168.0
[M+Na]+ 309.15734 171.5
[M-H]- 285.16084 173.1
[M+NH4]+ 304.20194 179.6
[M+K]+ 325.13128 168.4
[M+H-H2O]+ 269.16538 158.2
[M+HCOO]- 331.16632 183.4
[M+CH3COO]- 345.18197 177.3
[M+Na-2H]- 307.14279 169.3
[M]+ 286.16757 164.2
[M]- 286.16867 164.2
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