CID 118330

Dtxsid70957794

Structural Information

Molecular Formula

C₂₁H₃₅N₃O

SMILES

CCCCN1CCN(C(C1)C(=O)NC2=C(C=CC=C2C)C)CCCC

InChI

InChI=1S/C21H35N3O/c1-5-7-12-23-14-15-24(13-8-6-2)19(16-23)21(25)22-20-17(3)10-9-11-18(20)4/h9-11,19H,5-8,12-16H2,1-4H3,(H,22,25)

InChIKey

SKJYXFYNQICALD-UHFFFAOYSA-N

Compound name

1,4-dibutyl-N-(2,6-dimethylphenyl)piperazine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 345.278 Da
Monoisotopic Mass: 4.2
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]+	346.285276	191.2
[M+Na]+	368.267218	194.6
[M-H]-	344.270724	193.7
[M+NH4]+	363.311823	201.8
[M+K]+	384.241158	189.7
[M+H-H2O]+	328.275260	181.1
[M+HCOO]-	390.276201	206.6
[M+CH3COO]-	404.291851	220.3
[M+Na-2H]-	366.252666	188.9
[M]+	345.27745142	190.4
[M]-	345.27854858	190.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.