CID 71623598

4-methyl-5-(2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl)thiazol-2-amine hydrobromide

Structural Information

Molecular Formula
C13H14F3N3S
SMILES
CC1=C(SC(=N1)N)C2=CC(=NC=C2)C(C)(C)C(F)(F)F
InChI
InChI=1S/C13H14F3N3S/c1-7-10(20-11(17)19-7)8-4-5-18-9(6-8)12(2,3)13(14,15)16/h4-6H,1-3H3,(H2,17,19)
InChIKey
IHGVAVLSTPCCJP-UHFFFAOYSA-N
Compound name
4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

301.08606 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.09334 165.1
[M+Na]+ 324.07528 175.5
[M-H]- 300.07878 166.1
[M+NH4]+ 319.11988 180.2
[M+K]+ 340.04922 170.0
[M+H-H2O]+ 284.08332 155.6
[M+HCOO]- 346.08426 177.1
[M+CH3COO]- 360.09991 203.9
[M+Na-2H]- 322.06073 165.5
[M]+ 301.08551 163.1
[M]- 301.08661 163.1
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

patents stripe