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 171.4
[M+Na]+ 328.10902 179.2
[M-H]- 304.11252 177.2
[M+NH4]+ 323.15362 184.8
[M+K]+ 344.08296 174.7
[M+H-H2O]+ 288.11706 162.3
[M+HCOO]- 350.11800 183.7
[M+CH3COO]- 364.13365 181.6
[M+Na-2H]- 326.09447 168.7
[M]+ 305.11925 171.0
[M]- 305.12035 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.