CID 71186343

Rem127

Structural Information

Molecular Formula
C20H20Cl2N4S
SMILES
C1CN(CCN1CCC2=CC=CC=C2Cl)C3=NC(=NS3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C20H20Cl2N4S/c21-17-7-5-16(6-8-17)19-23-20(27-24-19)26-13-11-25(12-14-26)10-9-15-3-1-2-4-18(15)22/h1-8H,9-14H2
InChIKey
YWJORACHBFMAHI-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-5-[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-1,2,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

418.07858 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.08586 195.2
[M+Na]+ 441.06780 203.9
[M-H]- 417.07130 201.4
[M+NH4]+ 436.11240 203.5
[M+K]+ 457.04174 194.9
[M+H-H2O]+ 401.07584 183.6
[M+HCOO]- 463.07678 196.8
[M+CH3COO]- 477.09243 202.8
[M+Na-2H]- 439.05325 191.6
[M]+ 418.07803 196.5
[M]- 418.07913 196.5
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.