CID 32145

23920-57-2

Structural Information

Molecular Formula
C22H22ClN3OS
SMILES
C1CN(CCN1C2=NC=CS2)C(=O)CC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H22ClN3OS/c23-19-8-6-18(7-9-19)20(17-4-2-1-3-5-17)16-21(27)25-11-13-26(14-12-25)22-24-10-15-28-22/h1-10,15,20H,11-14,16H2
InChIKey
FNZQVMVCTCPIDY-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-3-phenyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.11722 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.12450 195.7
[M+Na]+ 434.10644 201.1
[M-H]- 410.10994 203.5
[M+NH4]+ 429.15104 204.3
[M+K]+ 450.08038 193.6
[M+H-H2O]+ 394.11448 184.8
[M+HCOO]- 456.11542 201.7
[M+CH3COO]- 470.13107 203.2
[M+Na-2H]- 432.09189 191.9
[M]+ 411.11667 195.2
[M]- 411.11777 195.2
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.