CID 9588179

72606-36-1

Structural Information

Molecular Formula

C₁₈H₂₈N₄O

SMILES

CC1=CC(=C(C(=C1C)/C=N/NC(=O)CN2CCN(CC2)C)C)C

InChI

InChI=1S/C18H28N4O/c1-13-10-14(2)16(4)17(15(13)3)11-19-20-18(23)12-22-8-6-21(5)7-9-22/h10-11H,6-9,12H2,1-5H3,(H,20,23)/b19-11+

InChIKey

ZEFZRQUNMPQAPB-YBFXNURJSA-N

Compound name

2-(4-methylpiperazin-1-yl)-N-[(E)-(2,3,5,6-tetramethylphenyl)methylideneamino]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 316.22632 Da
Monoisotopic Mass: 2.5
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]+	317.233596	181.0
[M+Na]+	339.215538	186.6
[M-H]-	315.219044	185.9
[M+NH4]+	334.260143	193.5
[M+K]+	355.189478	182.7
[M+H-H2O]+	299.223580	171.2
[M+HCOO]-	361.224521	200.1
[M+CH3COO]-	375.240171	218.8
[M+Na-2H]-	337.200986	180.5
[M]+	316.22577142	179.9
[M]-	316.22686858	179.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.