CID 214432

33161-88-5

Structural Information

Molecular Formula

C₂₁H₂₃N₃O

SMILES

CN1CCN(CC1)CC2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O/c1-23-12-14-24(15-13-23)16-19-22-20(17-8-4-2-5-9-17)21(25-19)18-10-6-3-7-11-18/h2-11H,12-16H2,1H3

InChIKey

BNDMBTLTLIEVKV-UHFFFAOYSA-N

Compound name

2-[(4-methylpiperazin-1-yl)methyl]-4,5-diphenyl-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 333.1841 Da
Monoisotopic Mass: 3.3
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]+	334.191376	181.7
[M+Na]+	356.173318	187.5
[M-H]-	332.176824	190.2
[M+NH4]+	351.217923	190.7
[M+K]+	372.147258	182.2
[M+H-H2O]+	316.181360	169.5
[M+HCOO]-	378.182301	197.8
[M+CH3COO]-	392.197951	190.9
[M+Na-2H]-	354.158766	182.6
[M]+	333.18355142	178.8
[M]-	333.18464858	178.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe