CID 31059

Cl 71366

Structural Information

Molecular Formula

C₁₆H₂₇N₃O

SMILES

CN(C)CCCN1CCN(CC1)C2=CC=C(C=C2)OC

InChI

InChI=1S/C16H27N3O/c1-17(2)9-4-10-18-11-13-19(14-12-18)15-5-7-16(20-3)8-6-15/h5-8H,4,9-14H2,1-3H3

InChIKey

MOYBVKHVBFCEQA-UHFFFAOYSA-N

Compound name

3-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-dimethylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 277.21542 Da
Monoisotopic Mass: 2.2
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]+	278.222696	169.4
[M+Na]+	300.204638	173.0
[M-H]-	276.208144	173.3
[M+NH4]+	295.249243	182.8
[M+K]+	316.178578	170.8
[M+H-H2O]+	260.212680	159.2
[M+HCOO]-	322.213621	187.8
[M+CH3COO]-	336.229271	206.9
[M+Na-2H]-	298.190086	171.6
[M]+	277.21487142	168.5
[M]-	277.21596858	168.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.