CID 13397860

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

Structural Information

Molecular Formula
C15H13N3O2S
SMILES
CC1=CC(=NC2=C1C(=O)N(S2)C(=O)NC3=CC=CC=C3)C
InChI
InChI=1S/C15H13N3O2S/c1-9-8-10(2)16-13-12(9)14(19)18(21-13)15(20)17-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,17,20)
InChIKey
XOCBFLDEJGJIJL-UHFFFAOYSA-N
Compound name
4,6-dimethyl-3-oxo-N-phenyl-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

299.07285 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.080126 166.6
[M+Na]+ 322.062068 178.7
[M-H]- 298.065574 173.5
[M+NH4]+ 317.106673 183.1
[M+K]+ 338.036008 173.1
[M+H-H2O]+ 282.070110 159.1
[M+HCOO]- 344.071051 185.9
[M+CH3COO]- 358.086701 179.4
[M+Na-2H]- 320.047516 169.5
[M]+ 299.07230142 172.2
[M]- 299.07339858 172.2
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