CID 883945

73415-60-8

Structural Information

Molecular Formula

C₁₅H₂₀N₂O

SMILES

C1CNCCC1C(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C15H20N2O/c18-15(13-5-8-16-9-6-13)17-10-7-12-3-1-2-4-14(12)11-17/h1-4,13,16H,5-11H2

InChIKey

BAUPZLTVOMQSAD-UHFFFAOYSA-N

Compound name

3,4-dihydro-1H-isoquinolin-2-yl(piperidin-4-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 244.15756 Da
Monoisotopic Mass: 1.3
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]+	245.16484	159.4
[M+Na]+	267.14678	171.2
[M+NH4]+	262.19138	168.0
[M+K]+	283.12072	163.8
[M-H]-	243.15028	162.6
[M+Na-2H]-	265.13223	165.1
[M]+	244.15701	161.8
[M]-	244.15811	161.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe