CID 3076427

131028-02-9

Structural Information

Molecular Formula
C16H20ClN3O2
SMILES
C1CC(=O)N(C1)CC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C16H20ClN3O2/c17-13-3-1-4-14(11-13)18-7-9-19(10-8-18)16(22)12-20-6-2-5-15(20)21/h1,3-4,11H,2,5-10,12H2
InChIKey
HZWKRHQTTJJKDX-UHFFFAOYSA-N
Compound name
1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

321.1244 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.131676 176.5
[M+Na]+ 344.113618 181.8
[M-H]- 320.117124 180.9
[M+NH4]+ 339.158223 188.4
[M+K]+ 360.087558 176.3
[M+H-H2O]+ 304.121660 166.0
[M+HCOO]- 366.122601 186.0
[M+CH3COO]- 380.138251 185.1
[M+Na-2H]- 342.099066 173.9
[M]+ 321.12385142 172.6
[M]- 321.12494858 172.6
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

patents stripe