CID 3078059

B 1194

Structural Information

Molecular Formula
C17H20F3N3OS
SMILES
CC1=C(SC=N1)OCCN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C17H20F3N3OS/c1-13-16(25-12-21-13)24-10-9-22-5-7-23(8-6-22)15-4-2-3-14(11-15)17(18,19)20/h2-4,11-12H,5-10H2,1H3
InChIKey
DALURWUGVJBXES-UHFFFAOYSA-N
Compound name
4-methyl-5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

371.12793 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.13521 185.9
[M+Na]+ 394.11715 194.5
[M+NH4]+ 389.16175 190.7
[M+K]+ 410.09109 188.3
[M-H]- 370.12065 184.8
[M+Na-2H]- 392.10260 190.0
[M]+ 371.12738 186.9
[M]- 371.12848 186.9
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