CID 5280258

Schembl5180744

Structural Information

Molecular Formula

C₂₂H₁₉N₃O₃

SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H19N3O3/c26-20(19-11-10-16-6-4-5-9-18(16)23-19)22(28)25-14-12-24(13-15-25)21(27)17-7-2-1-3-8-17/h1-11H,12-15H2

InChIKey

IABDQTZKQKCLMV-UHFFFAOYSA-N

Compound name

1-(4-benzoylpiperazin-1-yl)-2-quinolin-2-ylethane-1,2-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 373.14264 Da
Monoisotopic Mass: 2.8
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]+	374.14992	188.5
[M+Na]+	396.13186	192.3
[M-H]-	372.13536	193.5
[M+NH4]+	391.17646	195.5
[M+K]+	412.10580	186.8
[M+H-H2O]+	356.13990	176.0
[M+HCOO]-	418.14084	200.6
[M+CH3COO]-	432.15649	195.6
[M+Na-2H]-	394.11731	190.3
[M]+	373.14209	184.1
[M]-	373.14319	184.1

Literature stripe

literature stripe

Patent stripe

patents stripe