CID 9578709

39844-57-0

Structural Information

Molecular Formula

C₁₇H₂₂N₂O₂

SMILES

CCC1(C(=O)C(CN(C1=O)/N=C/C2=CC=CC=C2)C)CC

InChI

InChI=1S/C17H22N2O2/c1-4-17(5-2)15(20)13(3)12-19(16(17)21)18-11-14-9-7-6-8-10-14/h6-11,13H,4-5,12H2,1-3H3/b18-11+

InChIKey

BLDVHRWFMXRGDM-WOJGMQOQSA-N

Compound name

1-[(E)-benzylideneamino]-3,3-diethyl-5-methylpiperidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 286.16812 Da
Monoisotopic Mass: 3.2
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]+	287.175396	166.4
[M+Na]+	309.157338	173.8
[M-H]-	285.160844	172.9
[M+NH4]+	304.201943	183.5
[M+K]+	325.131278	170.2
[M+H-H2O]+	269.165380	158.3
[M+HCOO]-	331.166321	187.7
[M+CH3COO]-	345.181971	207.3
[M+Na-2H]-	307.142786	169.3
[M]+	286.16757142	166.5
[M]-	286.16866858	166.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.