CID 3039610

La 1457

Structural Information

Molecular Formula
C15H19N3O2S
SMILES
CN1CCN(CC1)C2=NC(=O)C(S2)C3=CC(=CC=C3)OC
InChI
InChI=1S/C15H19N3O2S/c1-17-6-8-18(9-7-17)15-16-14(19)13(21-15)11-4-3-5-12(10-11)20-2/h3-5,10,13H,6-9H2,1-2H3
InChIKey
ZXQXJQJOIKFMIY-UHFFFAOYSA-N
Compound name
5-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1198 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.12708 171.3
[M+Na]+ 328.10902 183.7
[M+NH4]+ 323.15362 178.9
[M+K]+ 344.08296 176.8
[M-H]- 304.11252 175.2
[M+Na-2H]- 326.09447 177.3
[M]+ 305.11925 174.5
[M]- 305.12035 174.5
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.