CID 3039604

50871-32-4

Structural Information

Molecular Formula
C16H21N3OS
SMILES
CCCN1CCN(CC1)C2=NC(=O)C(S2)C3=CC=CC=C3
InChI
InChI=1S/C16H21N3OS/c1-2-8-18-9-11-19(12-10-18)16-17-15(20)14(21-16)13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3
InChIKey
SNDZLZYFBKDMJP-UHFFFAOYSA-N
Compound name
5-phenyl-2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.14053 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.147806 172.1
[M+Na]+ 326.129748 178.9
[M-H]- 302.133254 177.4
[M+NH4]+ 321.174353 185.4
[M+K]+ 342.103688 173.6
[M+H-H2O]+ 286.137790 162.6
[M+HCOO]- 348.138731 184.0
[M+CH3COO]- 362.154381 181.8
[M+Na-2H]- 324.115196 169.4
[M]+ 303.13998142 170.2
[M]- 303.14107858 170.2
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.