CID 1229993

298230-96-3

Structural Information

Molecular Formula

C₂₀H₂₃NO

SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCCC3=CC=CC=C32

InChI

InChI=1S/C20H23NO/c1-20(2,3)17-12-10-16(11-13-17)19(22)21-14-6-8-15-7-4-5-9-18(15)21/h4-5,7,9-13H,6,8,14H2,1-3H3

InChIKey

MVVRFBMVBOGXMY-UHFFFAOYSA-N

Compound name

(4-tert-butylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 293.17798 Da
Monoisotopic Mass: 5.0
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]+	294.18526	172.1
[M+Na]+	316.16720	177.8
[M-H]-	292.17070	177.5
[M+NH4]+	311.21180	187.0
[M+K]+	332.14114	173.0
[M+H-H2O]+	276.17524	163.5
[M+HCOO]-	338.17618	187.8
[M+CH3COO]-	352.19183	204.4
[M+Na-2H]-	314.15265	176.2
[M]+	293.17743	169.8
[M]-	293.17853	169.8

Literature stripe

literature stripe

Patent stripe

patents stripe