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

3
Patents

313.07486 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.08214 173.0
[M+Na]+ 336.06408 180.0
[M-H]- 312.06758 175.6
[M+NH4]+ 331.10868 185.4
[M+K]+ 352.03802 172.6
[M+H-H2O]+ 296.07212 163.3
[M+HCOO]- 358.07306 177.0
[M+CH3COO]- 372.08871 181.4
[M+Na-2H]- 334.04953 170.4
[M]+ 313.07431 168.0
[M]- 313.07541 168.0
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