CID 3060966

78406-73-2

Structural Information

Molecular Formula

C₁₈H₃₁N₃O₂

SMILES

CCN(CC)CC(C(=O)NC1=CC=CC=C1OC)N(CC)CC

InChI

InChI=1S/C18H31N3O2/c1-6-20(7-2)14-16(21(8-3)9-4)18(22)19-15-12-10-11-13-17(15)23-5/h10-13,16H,6-9,14H2,1-5H3,(H,19,22)

InChIKey

NAOIJRIJQMHTME-UHFFFAOYSA-N

Compound name

2,3-bis(diethylamino)-N-(2-methoxyphenyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 321.24164 Da
Monoisotopic Mass: 2.7
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]+	322.248916	184.0
[M+Na]+	344.230858	185.8
[M-H]-	320.234364	189.1
[M+NH4]+	339.275463	198.4
[M+K]+	360.204798	186.1
[M+H-H2O]+	304.238900	175.0
[M+HCOO]-	366.239841	208.1
[M+CH3COO]-	380.255491	225.5
[M+Na-2H]-	342.216306	183.4
[M]+	321.24109142	188.5
[M]-	321.24218858	188.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.