CID 3021509

Piperazine, 1-(2-(4-methyl-5-thiazolyl)ethyl)-4-(3-(trifluoromethyl)phenyl)-, monohydrochloride

Structural Information

Molecular Formula
C17H20F3N3S
SMILES
CC1=C(SC=N1)CCN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C17H20F3N3S/c1-13-16(24-12-21-13)5-6-22-7-9-23(10-8-22)15-4-2-3-14(11-15)17(18,19)20/h2-4,11-12H,5-10H2,1H3
InChIKey
DNYAEBKBJCGRMS-UHFFFAOYSA-N
Compound name
4-methyl-5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.133 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.14028 180.8
[M+Na]+ 378.12222 188.5
[M-H]- 354.12572 182.4
[M+NH4]+ 373.16682 192.1
[M+K]+ 394.09616 181.8
[M+H-H2O]+ 338.13026 168.8
[M+HCOO]- 400.13120 188.6
[M+CH3COO]- 414.14685 189.1
[M+Na-2H]- 376.10767 177.8
[M]+ 355.13245 176.4
[M]- 355.13355 176.4
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

No patent data available for this compound.