CID 198426

62295-52-7

Structural Information

Molecular Formula

C₂₂H₂₄N₂O₂

SMILES

CC1=CC(=C2C(=O)C3=CC=CC=C3C2=O)C=CN1CCN4CCCCC4

InChI

InChI=1S/C22H24N2O2/c1-16-15-17(9-12-24(16)14-13-23-10-5-2-6-11-23)20-21(25)18-7-3-4-8-19(18)22(20)26/h3-4,7-9,12,15H,2,5-6,10-11,13-14H2,1H3

InChIKey

XSIKFXCUMRSDMZ-UHFFFAOYSA-N

Compound name

2-[2-methyl-1-(2-piperidin-1-ylethyl)-4-pyridinylidene]indene-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 348.18378 Da
Monoisotopic Mass: 3.5
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]+	349.191056	187.0
[M+Na]+	371.172998	192.7
[M-H]-	347.176504	193.8
[M+NH4]+	366.217603	199.7
[M+K]+	387.146938	185.7
[M+H-H2O]+	331.181040	176.5
[M+HCOO]-	393.181981	201.4
[M+CH3COO]-	407.197631	195.7
[M+Na-2H]-	369.158446	184.3
[M]+	348.18323142	181.9
[M]-	348.18432858	181.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.