CID 3085056

Tebatizole

Structural Information

Molecular Formula
C12H21N3S
SMILES
CC(C)(C)C1=CSC(=N1)N2CCN(CC2)C
InChI
InChI=1S/C12H21N3S/c1-12(2,3)10-9-16-11(13-10)15-7-5-14(4)6-8-15/h9H,5-8H2,1-4H3
InChIKey
KJWKKFSEVNVWPM-UHFFFAOYSA-N
Compound name
4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

239.14561 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.152886 157.8
[M+Na]+ 262.134828 165.3
[M-H]- 238.138334 160.5
[M+NH4]+ 257.179433 174.4
[M+K]+ 278.108768 162.2
[M+H-H2O]+ 222.142870 150.2
[M+HCOO]- 284.143811 169.0
[M+CH3COO]- 298.159461 190.9
[M+Na-2H]- 260.120276 157.2
[M]+ 239.14506142 156.9
[M]- 239.14615858 156.9
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.