CID 3057800

74203-59-1

Structural Information

Molecular Formula

C₁₆H₂₁N₃O₂

SMILES

CN1CCN(CC1)C(=O)C2CC(=O)N(C2)C3=CC=CC=C3

InChI

InChI=1S/C16H21N3O2/c1-17-7-9-18(10-8-17)16(21)13-11-15(20)19(12-13)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3

InChIKey

ODVQGHCXFBAXOD-UHFFFAOYSA-N

Compound name

4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 287.1634 Da
Monoisotopic Mass: 0.3
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]+	288.170676	169.7
[M+Na]+	310.152618	174.4
[M-H]-	286.156124	174.4
[M+NH4]+	305.197223	182.2
[M+K]+	326.126558	170.4
[M+H-H2O]+	270.160660	159.2
[M+HCOO]-	332.161601	184.0
[M+CH3COO]-	346.177251	199.9
[M+Na-2H]-	308.138066	167.7
[M]+	287.16285142	163.8
[M]-	287.16394858	163.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe