CID 59672

4-amino-n-(2-(diethylamino)ethyl)-2-propoxy-benzamide hydrochloride

Structural Information

Molecular Formula

C₁₆H₂₇N₃O₂

SMILES

CCCOC1=C(C=CC(=C1)N)C(=O)NCCN(CC)CC

InChI

InChI=1S/C16H27N3O2/c1-4-11-21-15-12-13(17)7-8-14(15)16(20)18-9-10-19(5-2)6-3/h7-8,12H,4-6,9-11,17H2,1-3H3,(H,18,20)

InChIKey

KUDYDMFOUUNRGN-UHFFFAOYSA-N

Compound name

4-amino-N-[2-(diethylamino)ethyl]-2-propoxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 293.21033 Da
Monoisotopic Mass: 2.3
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]+	294.217606	173.8
[M+Na]+	316.199548	177.5
[M-H]-	292.203054	177.6
[M+NH4]+	311.244153	188.9
[M+K]+	332.173488	176.0
[M+H-H2O]+	276.207590	165.5
[M+HCOO]-	338.208531	198.5
[M+CH3COO]-	352.224181	216.0
[M+Na-2H]-	314.184996	174.6
[M]+	293.20978142	176.3
[M]-	293.21087858	176.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe