CID 3056217

1-(4-(2,2,2-trifluoro-1-phenylethyl)-2-thiazolyl)piperazine

Structural Information

Molecular Formula
C15H16F3N3S
SMILES
C1CN(CCN1)C2=NC(=CS2)C(C3=CC=CC=C3)C(F)(F)F
InChI
InChI=1S/C15H16F3N3S/c16-15(17,18)13(11-4-2-1-3-5-11)12-10-22-14(20-12)21-8-6-19-7-9-21/h1-5,10,13,19H,6-9H2
InChIKey
UOBMMCJACYDGSH-UHFFFAOYSA-N
Compound name
2-piperazin-1-yl-4-(2,2,2-trifluoro-1-phenylethyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

327.1017 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.10898 170.2
[M+Na]+ 350.09092 176.3
[M-H]- 326.09442 170.2
[M+NH4]+ 345.13552 181.3
[M+K]+ 366.06486 169.8
[M+H-H2O]+ 310.09896 158.7
[M+HCOO]- 372.09990 176.3
[M+CH3COO]- 386.11555 178.1
[M+Na-2H]- 348.07637 168.5
[M]+ 327.10115 162.1
[M]- 327.10225 162.1
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