CID 3057841

74246-72-3

Structural Information

Molecular Formula

C₁₇H₂₂N₂O₂

SMILES

CN(C)CCN1C(=O)CC2(C1=O)CCCC3=CC=CC=C23

InChI

InChI=1S/C17H22N2O2/c1-18(2)10-11-19-15(20)12-17(16(19)21)9-5-7-13-6-3-4-8-14(13)17/h3-4,6,8H,5,7,9-12H2,1-2H3

InChIKey

BKYNOLGHFIWUAV-UHFFFAOYSA-N

Compound name

1'-[2-(dimethylamino)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 286.16812 Da
Monoisotopic Mass: 1.6
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	167.2
[M+Na]+	309.157338	173.8
[M-H]-	285.160844	173.2
[M+NH4]+	304.201943	187.1
[M+K]+	325.131278	170.4
[M+H-H2O]+	269.165380	159.5
[M+HCOO]-	331.166321	186.3
[M+CH3COO]-	345.181971	206.6
[M+Na-2H]-	307.142786	169.4
[M]+	286.16757142	165.8
[M]-	286.16866858	165.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.