CID 410743

1804-36-0

Structural Information

Molecular Formula

C₁₇H₁₉N₃O

SMILES

C1CN(CCN1)C(=O)N(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C17H19N3O/c21-17(19-13-11-18-12-14-19)20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,18H,11-14H2

InChIKey

XQRSOLXZAPIGQA-UHFFFAOYSA-N

Compound name

N,N-diphenylpiperazine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 281.1528 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]+	282.16008	165.8
[M+Na]+	304.14202	168.1
[M-H]-	280.14552	171.1
[M+NH4]+	299.18662	177.0
[M+K]+	320.11596	163.8
[M+H-H2O]+	264.15006	154.8
[M+HCOO]-	326.15100	182.9
[M+CH3COO]-	340.16665	174.6
[M+Na-2H]-	302.12747	170.1
[M]+	281.15225	158.5
[M]-	281.15335	158.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe