CID 163317

Iminophenimide

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₂

SMILES

CCC1(C(=O)NC(=O)CN1)C2=CC=CC=C2

InChI

InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)11(16)14-10(15)8-13-12/h3-7,13H,2,8H2,1H3,(H,14,15,16)

InChIKey

ANPJDCDLXKNSPS-UHFFFAOYSA-N

Compound name

3-ethyl-3-phenylpiperazine-2,6-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 36
Patents: 218.10553 Da
Monoisotopic Mass: 1.1
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]+	219.112806	149.9
[M+Na]+	241.094748	156.8
[M-H]-	217.098254	150.9
[M+NH4]+	236.139353	166.0
[M+K]+	257.068688	152.1
[M+H-H2O]+	201.102790	142.4
[M+HCOO]-	263.103731	165.8
[M+CH3COO]-	277.119381	181.6
[M+Na-2H]-	239.080196	154.8
[M]+	218.10498142	143.9
[M]-	218.10607858	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe