CID 52982946

Tert-butyl 2',4'-dihydro-1'h-spiro[piperidine-4,3'-quinoline]-1-carboxylate

Structural Information

Molecular Formula

C₁₈H₂₆N₂O₂

SMILES

CC(C)(C)OC(=O)N1CCC2(CC1)CC3=CC=CC=C3NC2

InChI

InChI=1S/C18H26N2O2/c1-17(2,3)22-16(21)20-10-8-18(9-11-20)12-14-6-4-5-7-15(14)19-13-18/h4-7,19H,8-13H2,1-3H3

InChIKey

WADUXZCOHAHPFB-UHFFFAOYSA-N

Compound name

tert-butyl spiro[2,4-dihydro-1H-quinoline-3,4'-piperidine]-1'-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 302.19943 Da
Monoisotopic Mass: 3.4
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]+	303.206706	176.4
[M+Na]+	325.188648	180.2
[M-H]-	301.192154	177.2
[M+NH4]+	320.233253	191.0
[M+K]+	341.162588	176.1
[M+H-H2O]+	285.196690	167.8
[M+HCOO]-	347.197631	185.7
[M+CH3COO]-	361.213281	199.8
[M+Na-2H]-	323.174096	180.5
[M]+	302.19888142	169.8
[M]-	302.19997858	169.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe