CID 116119

1-benzoyl-4-benzylpiperazine

Structural Information

Molecular Formula

C₁₈H₂₀N₂O

SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H20N2O/c21-18(17-9-5-2-6-10-17)20-13-11-19(12-14-20)15-16-7-3-1-4-8-16/h1-10H,11-15H2

InChIKey

VFSAEAGKVBCUNE-UHFFFAOYSA-N

Compound name

(4-benzylpiperazin-1-yl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 53
Patents: 280.15756 Da
Monoisotopic Mass: 1.8
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]+	281.16484	168.5
[M+Na]+	303.14678	183.1
[M+NH4]+	298.19138	176.9
[M+K]+	319.12072	174.4
[M-H]-	279.15028	174.2
[M+Na-2H]-	301.13223	178.6
[M]+	280.15701	172.2
[M]-	280.15811	172.2

Literature stripe

literature stripe

Patent stripe

patents stripe