CID 7015289

474711-91-6

Structural Information

Molecular Formula

C₁₁H₁₅N₃O

SMILES

C1CN(CCN1)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C11H15N3O/c15-11(14-8-6-12-7-9-14)13-10-4-2-1-3-5-10/h1-5,12H,6-9H2,(H,13,15)

InChIKey

YEQDVKYOHVLZPU-UHFFFAOYSA-N

Compound name

N-phenylpiperazine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 257
Patents: 205.1215 Da
Monoisotopic Mass: 0.5
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]+	206.12878	146.5
[M+Na]+	228.11072	150.1
[M-H]-	204.11422	148.0
[M+NH4]+	223.15532	161.0
[M+K]+	244.08466	146.7
[M+H-H2O]+	188.11876	137.7
[M+HCOO]-	250.11970	163.9
[M+CH3COO]-	264.13535	182.4
[M+Na-2H]-	226.09617	152.1
[M]+	205.12095	138.6
[M]-	205.12205	138.6

Literature stripe

literature stripe

Patent stripe

patents stripe