CID 3078065

B 1227

Structural Information

Molecular Formula
C16H20FN3OS
SMILES
CC1=C(SC=N1)OCCN2CCN(CC2)C3=CC=C(C=C3)F
InChI
InChI=1S/C16H20FN3OS/c1-13-16(22-12-18-13)21-11-10-19-6-8-20(9-7-19)15-4-2-14(17)3-5-15/h2-5,12H,6-11H2,1H3
InChIKey
HRMZLQLYMWNCSE-UHFFFAOYSA-N
Compound name
5-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethoxy]-4-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

321.1311 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.13838 173.1
[M+Na]+ 344.12032 180.6
[M-H]- 320.12382 177.3
[M+NH4]+ 339.16492 185.7
[M+K]+ 360.09426 175.1
[M+H-H2O]+ 304.12836 162.5
[M+HCOO]- 366.12930 185.2
[M+CH3COO]- 380.14495 182.7
[M+Na-2H]- 342.10577 171.0
[M]+ 321.13055 172.4
[M]- 321.13165 172.4
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

patents stripe