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]+ 300.08013 166.6
[M+Na]+ 322.06207 181.3
[M+NH4]+ 317.10667 174.5
[M+K]+ 338.03601 174.1
[M-H]- 298.06557 170.5
[M+Na-2H]- 320.04752 174.1
[M]+ 299.07230 170.3
[M]- 299.07340 170.3
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