CID 165950252

2694728-59-9

Structural Information

Molecular Formula
C13H20BrN3O2S
SMILES
CC1=C(SC(=N1)N2CCN(CC2)C(=O)OC(C)(C)C)Br
InChI
InChI=1S/C13H20BrN3O2S/c1-9-10(14)20-11(15-9)16-5-7-17(8-6-16)12(18)19-13(2,3)4/h5-8H2,1-4H3
InChIKey
MMOBYKZXYDXTQW-UHFFFAOYSA-N
Compound name
tert-butyl 4-(5-bromo-4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.04596 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.05324 169.6
[M+Na]+ 384.03518 180.7
[M-H]- 360.03868 175.5
[M+NH4]+ 379.07978 185.6
[M+K]+ 400.00912 169.7
[M+H-H2O]+ 344.04322 169.1
[M+HCOO]- 406.04416 178.8
[M+CH3COO]- 420.05981 206.5
[M+Na-2H]- 382.02063 169.8
[M]+ 361.04541 189.7
[M]- 361.04651 189.7
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.