CID 3041506

54183-96-9

Structural Information

Molecular Formula

C₂₀H₂₃N₃O₂

SMILES

CC1(C2=CC=CC=C2C(NC1=O)C3=CC=C(C=C3)NC(=O)CNC)C

InChI

InChI=1S/C20H23N3O2/c1-20(2)16-7-5-4-6-15(16)18(23-19(20)25)13-8-10-14(11-9-13)22-17(24)12-21-3/h4-11,18,21H,12H2,1-3H3,(H,22,24)(H,23,25)

InChIKey

DFNNFJVYZRZOGF-UHFFFAOYSA-N

Compound name

N-[4-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-1-yl)phenyl]-2-(methylamino)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 337.17902 Da
Monoisotopic Mass: 2.1
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]+	338.186296	180.9
[M+Na]+	360.168238	187.0
[M-H]-	336.171744	185.5
[M+NH4]+	355.212843	194.9
[M+K]+	376.142178	181.4
[M+H-H2O]+	320.176280	172.2
[M+HCOO]-	382.177221	199.0
[M+CH3COO]-	396.192871	215.8
[M+Na-2H]-	358.153686	184.8
[M]+	337.17847142	178.0
[M]-	337.17956858	178.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.