CID 3056212

73553-71-6

Structural Information

Molecular Formula
C20H20ClN3OS
SMILES
C1CN(CCN1)C2=NC(=CS2)CC3=CC=C(C=C3)OC4=CC=C(C=C4)Cl
InChI
InChI=1S/C20H20ClN3OS/c21-16-3-7-19(8-4-16)25-18-5-1-15(2-6-18)13-17-14-26-20(23-17)24-11-9-22-10-12-24/h1-8,14,22H,9-13H2
InChIKey
XQKSQYRMLVFENT-UHFFFAOYSA-N
Compound name
4-[[4-(4-chlorophenoxy)phenyl]methyl]-2-piperazin-1-yl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

385.10156 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.10884 188.0
[M+Na]+ 408.09078 195.2
[M-H]- 384.09428 194.9
[M+NH4]+ 403.13538 197.6
[M+K]+ 424.06472 186.8
[M+H-H2O]+ 368.09882 177.7
[M+HCOO]- 430.09976 195.0
[M+CH3COO]- 444.11541 196.3
[M+Na-2H]- 406.07623 186.1
[M]+ 385.10101 187.3
[M]- 385.10211 187.3
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