CID 3039617

La 1456

Structural Information

Molecular Formula
C17H23N3OS
SMILES
CC1=CC=C(C=C1)C2C(=O)N=C(S2)N3CCN(CC3)C(C)C
InChI
InChI=1S/C17H23N3OS/c1-12(2)19-8-10-20(11-9-19)17-18-16(21)15(22-17)14-6-4-13(3)5-7-14/h4-7,12,15H,8-11H2,1-3H3
InChIKey
GJHYREWMNDQABJ-UHFFFAOYSA-N
Compound name
5-(4-methylphenyl)-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.1562 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.163476 176.4
[M+Na]+ 340.145418 183.3
[M-H]- 316.148924 182.0
[M+NH4]+ 335.190023 189.4
[M+K]+ 356.119358 178.3
[M+H-H2O]+ 300.153460 167.3
[M+HCOO]- 362.154401 186.9
[M+CH3COO]- 376.170051 185.9
[M+Na-2H]- 338.130866 171.6
[M]+ 317.15565142 174.7
[M]- 317.15674858 174.7
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.