CID 3021870

91703-22-9

Structural Information

Molecular Formula

C₁₄H₁₇Cl₂N₃O

SMILES

C1CC(=O)NC1N2CCN(CC2)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C14H17Cl2N3O/c15-11-2-1-10(9-12(11)16)18-5-7-19(8-6-18)13-3-4-14(20)17-13/h1-2,9,13H,3-8H2,(H,17,20)

InChIKey

DAWUPZVTSYCEQK-UHFFFAOYSA-N

Compound name

5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 313.07486 Da
Monoisotopic Mass: 2.7
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]+	314.082136	173.0
[M+Na]+	336.064078	180.0
[M-H]-	312.067584	175.6
[M+NH4]+	331.108683	185.4
[M+K]+	352.038018	172.6
[M+H-H2O]+	296.072120	163.3
[M+HCOO]-	358.073061	177.0
[M+CH3COO]-	372.088711	181.4
[M+Na-2H]-	334.049526	170.4
[M]+	313.07431142	168.0
[M]-	313.07540858	168.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe