CID 3039611

La 1460

Structural Information

Molecular Formula
C17H23N3OS
SMILES
CC(C)C1=CC=C(C=C1)C2C(=O)N=C(S2)N3CCN(CC3)C
InChI
InChI=1S/C17H23N3OS/c1-12(2)13-4-6-14(7-5-13)15-16(21)18-17(22-15)20-10-8-19(3)9-11-20/h4-7,12,15H,8-11H2,1-3H3
InChIKey
UBALWZHAGSEAET-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)-5-(4-propan-2-ylphenyl)-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 175.9
[M+Na]+ 340.14542 188.1
[M+NH4]+ 335.19002 183.7
[M+K]+ 356.11936 181.1
[M-H]- 316.14892 180.1
[M+Na-2H]- 338.13087 181.7
[M]+ 317.15565 179.2
[M]- 317.15675 179.2
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.