CID 43162406

1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazine

Structural Information

Molecular Formula

C₁₄H₁₇N₃O

SMILES

C1CN(CCN1)CC2=NC=C(O2)C3=CC=CC=C3

InChI

InChI=1S/C14H17N3O/c1-2-4-12(5-3-1)13-10-16-14(18-13)11-17-8-6-15-7-9-17/h1-5,10,15H,6-9,11H2

InChIKey

JDCCWCNNHAYIDF-UHFFFAOYSA-N

Compound name

5-phenyl-2-(piperazin-1-ylmethyl)-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 243.13716 Da
Monoisotopic Mass: 1.2
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]+	244.144436	155.6
[M+Na]+	266.126378	161.0
[M-H]-	242.129884	159.7
[M+NH4]+	261.170983	167.8
[M+K]+	282.100318	157.2
[M+H-H2O]+	226.134420	145.4
[M+HCOO]-	288.135361	171.6
[M+CH3COO]-	302.151011	165.8
[M+Na-2H]-	264.111826	159.4
[M]+	243.13661142	150.6
[M]-	243.13770858	150.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe