CID 3039610

50871-38-0

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]+ 306.127076 171.4
[M+Na]+ 328.109018 179.2
[M-H]- 304.112524 177.2
[M+NH4]+ 323.153623 184.8
[M+K]+ 344.082958 174.7
[M+H-H2O]+ 288.117060 162.3
[M+HCOO]- 350.118001 183.7
[M+CH3COO]- 364.133651 181.6
[M+Na-2H]- 326.094466 168.7
[M]+ 305.11925142 171.0
[M]- 305.12034858 171.0
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.