CID 13397859

Isothiazolo(5,4-b)pyridine-2-carboxamide, 2,3-dihydro-n-cyclohexyl-4,6-dimethyl-3-oxo-

Structural Information

Molecular Formula
C15H19N3O2S
SMILES
CC1=CC(=NC2=C1C(=O)N(S2)C(=O)NC3CCCCC3)C
InChI
InChI=1S/C15H19N3O2S/c1-9-8-10(2)16-13-12(9)14(19)18(21-13)15(20)17-11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3,(H,17,20)
InChIKey
UGDBPJSFFQMLBX-UHFFFAOYSA-N
Compound name
N-cyclohexyl-4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1198 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.12708 169.2
[M+Na]+ 328.10902 178.1
[M-H]- 304.11252 174.8
[M+NH4]+ 323.15362 185.2
[M+K]+ 344.08296 173.3
[M+H-H2O]+ 288.11706 161.7
[M+HCOO]- 350.11800 184.2
[M+CH3COO]- 364.13365 180.4
[M+Na-2H]- 326.09447 169.3
[M]+ 305.11925 170.6
[M]- 305.12035 170.6
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.