CID 24843772

91098-64-5

Structural Information

Molecular Formula

C₂₅H₃₅N₃O₂

SMILES

CCC(=O)N(C1=CC(=CC=C1)OC)C(C)CN2CCN(CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C25H35N3O2/c1-4-25(29)28(23-11-8-12-24(19-23)30-3)21(2)20-27-17-15-26(16-18-27)14-13-22-9-6-5-7-10-22/h5-12,19,21H,4,13-18,20H2,1-3H3

InChIKey

COCJQQVMQGBNAC-UHFFFAOYSA-N

Compound name

N-(3-methoxyphenyl)-N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 409.27292 Da
Monoisotopic Mass: 4.0
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]+	410.280196	204.3
[M+Na]+	432.262138	204.7
[M-H]-	408.265644	210.2
[M+NH4]+	427.306743	211.2
[M+K]+	448.236078	200.8
[M+H-H2O]+	392.270180	191.7
[M+HCOO]-	454.271121	219.2
[M+CH3COO]-	468.286771	231.7
[M+Na-2H]-	430.247586	202.2
[M]+	409.27237142	203.1
[M]-	409.27346858	203.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.