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]+ 318.16348 176.4
[M+Na]+ 340.14542 183.3
[M-H]- 316.14892 182.0
[M+NH4]+ 335.19002 189.4
[M+K]+ 356.11936 178.3
[M+H-H2O]+ 300.15346 167.3
[M+HCOO]- 362.15440 186.9
[M+CH3COO]- 376.17005 185.9
[M+Na-2H]- 338.13087 171.6
[M]+ 317.15565 174.7
[M]- 317.15675 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.