CID 3049294

4-((5-phenyl-2-oxazolyl)methyl)-1-piperazineethanol dihydrochloride

Structural Information

Molecular Formula

C₁₆H₂₁N₃O₂

SMILES

C1CN(CCN1CCO)CC2=NC=C(O2)C3=CC=CC=C3

InChI

InChI=1S/C16H21N3O2/c20-11-10-18-6-8-19(9-7-18)13-16-17-12-15(21-16)14-4-2-1-3-5-14/h1-5,12,20H,6-11,13H2

InChIKey

RKQNIKJSWJUXTO-UHFFFAOYSA-N

Compound name

2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 287.1634 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	288.170676	168.0
[M+Na]+	310.152618	173.3
[M-H]-	286.156124	172.2
[M+NH4]+	305.197223	178.6
[M+K]+	326.126558	169.6
[M+H-H2O]+	270.160660	157.5
[M+HCOO]-	332.161601	183.4
[M+CH3COO]-	346.177251	177.4
[M+Na-2H]-	308.138066	170.1
[M]+	287.16285142	165.5
[M]-	287.16394858	165.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe