CID 3021275

2-pyrrolidinone, 1-((4-(3-chlorophenyl)-1-piperazinyl)methyl)-

Structural Information

Molecular Formula
C15H20ClN3O
SMILES
C1CC(=O)N(C1)CN2CCN(CC2)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C15H20ClN3O/c16-13-3-1-4-14(11-13)18-9-7-17(8-10-18)12-19-6-2-5-15(19)20/h1,3-4,11H,2,5-10,12H2
InChIKey
CNYZDXYMZMJLBT-UHFFFAOYSA-N
Compound name
1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1295 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.13678 170.5
[M+Na]+ 316.11872 176.4
[M-H]- 292.12222 174.8
[M+NH4]+ 311.16332 183.8
[M+K]+ 332.09266 170.6
[M+H-H2O]+ 276.12676 159.9
[M+HCOO]- 338.12770 181.0
[M+CH3COO]- 352.14335 179.7
[M+Na-2H]- 314.10417 169.4
[M]+ 293.12895 166.2
[M]- 293.13005 166.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.