CID 3070023

4-((4-chlorophenyl)methyl)-3-(2-thienyl)piperazinone

Structural Information

Molecular Formula
C15H15ClN2OS
SMILES
C1CN(C(C(=O)N1)C2=CC=CS2)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H15ClN2OS/c16-12-5-3-11(4-6-12)10-18-8-7-17-15(19)14(18)13-2-1-9-20-13/h1-6,9,14H,7-8,10H2,(H,17,19)
InChIKey
NQYLUZKAOACFHN-UHFFFAOYSA-N
Compound name
4-[(4-chlorophenyl)methyl]-3-thiophen-2-ylpiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

306.05936 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.06664 168.3
[M+Na]+ 329.04858 182.3
[M+NH4]+ 324.09318 177.3
[M+K]+ 345.02252 173.6
[M-H]- 305.05208 173.2
[M+Na-2H]- 327.03403 175.9
[M]+ 306.05881 172.4
[M]- 306.05991 172.4
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