CID 59363

102489-46-3

Structural Information

Molecular Formula

C₂₂H₃₁N₃O

SMILES

CCN(CC)CCN(CC1=CC=CC=C1)CC(=O)NC2=CC=CC=C2C

InChI

InChI=1S/C22H31N3O/c1-4-24(5-2)15-16-25(17-20-12-7-6-8-13-20)18-22(26)23-21-14-10-9-11-19(21)3/h6-14H,4-5,15-18H2,1-3H3,(H,23,26)

InChIKey

OKRHUZMJDXLDRI-UHFFFAOYSA-N

Compound name

2-[benzyl-[2-(diethylamino)ethyl]amino]-N-(2-methylphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 353.2467 Da
Monoisotopic Mass: 3.8
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]+	354.253976	191.3
[M+Na]+	376.235918	192.9
[M-H]-	352.239424	199.2
[M+NH4]+	371.280523	204.0
[M+K]+	392.209858	190.4
[M+H-H2O]+	336.243960	180.9
[M+HCOO]-	398.244901	216.3
[M+CH3COO]-	412.260551	230.1
[M+Na-2H]-	374.221366	192.7
[M]+	353.24615142	193.9
[M]-	353.24724858	193.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe