CID 16077375

Chembl4276686

Structural Information

Molecular Formula
C13H15ClN4OS
SMILES
CC1=CN=C(S1)NC(=O)C2=CN=C(C(=N2)Cl)C(C)(C)C
InChI
InChI=1S/C13H15ClN4OS/c1-7-5-16-12(20-7)18-11(19)8-6-15-9(10(14)17-8)13(2,3)4/h5-6H,1-4H3,(H,16,18,19)
InChIKey
RDEFBRROPUKNEE-UHFFFAOYSA-N
Compound name
5-tert-butyl-6-chloro-N-(5-methyl-1,3-thiazol-2-yl)pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.06552 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.07280 171.3
[M+Na]+ 333.05474 181.6
[M-H]- 309.05824 175.3
[M+NH4]+ 328.09934 185.6
[M+K]+ 349.02868 176.1
[M+H-H2O]+ 293.06278 163.7
[M+HCOO]- 355.06372 181.9
[M+CH3COO]- 369.07937 203.8
[M+Na-2H]- 331.04019 171.7
[M]+ 310.06497 176.3
[M]- 310.06607 176.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.