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]+ 304.14781 172.1
[M+Na]+ 326.12975 178.9
[M-H]- 302.13325 177.4
[M+NH4]+ 321.17435 185.4
[M+K]+ 342.10369 173.6
[M+H-H2O]+ 286.13779 162.6
[M+HCOO]- 348.13873 184.0
[M+CH3COO]- 362.15438 181.8
[M+Na-2H]- 324.11520 169.4
[M]+ 303.13998 170.2
[M]- 303.14108 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.