CID 3039605

50871-33-5

Structural Information

Molecular Formula
C14H17N3OS
SMILES
CN1CCN(CC1)C2=NC(=O)C(S2)C3=CC=CC=C3
InChI
InChI=1S/C14H17N3OS/c1-16-7-9-17(10-8-16)14-15-13(18)12(19-14)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
InChIKey
AIWVTSQBMWJJHM-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)-5-phenyl-1,3-thiazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.10922 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.11650 163.7
[M+Na]+ 298.09844 171.4
[M-H]- 274.10194 169.4
[M+NH4]+ 293.14304 178.1
[M+K]+ 314.07238 166.6
[M+H-H2O]+ 258.10648 154.6
[M+HCOO]- 320.10742 176.2
[M+CH3COO]- 334.12307 174.3
[M+Na-2H]- 296.08389 162.0
[M]+ 275.10867 161.1
[M]- 275.10977 161.1
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.