CID 379219

101976-06-1

Structural Information

Molecular Formula

C₁₈H₂₁N₃O₃

SMILES

CCOC(=O)N1CCN(CC1)C(=O)NC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C18H21N3O3/c1-2-24-18(23)21-12-10-20(11-13-21)17(22)19-16-9-5-7-14-6-3-4-8-15(14)16/h3-9H,2,10-13H2,1H3,(H,19,22)

InChIKey

ZMPLXBACRCPNKB-UHFFFAOYSA-N

Compound name

ethyl 4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 327.1583 Da
Monoisotopic Mass: 2.4
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]+	328.165576	177.3
[M+Na]+	350.147518	181.3
[M-H]-	326.151024	180.9
[M+NH4]+	345.192123	188.6
[M+K]+	366.121458	177.6
[M+H-H2O]+	310.155560	167.0
[M+HCOO]-	372.156501	193.0
[M+CH3COO]-	386.172151	209.2
[M+Na-2H]-	348.132966	180.4
[M]+	327.15775142	174.5
[M]-	327.15884858	174.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.