CID 3065540

Isothiazolo(5,4-b)pyridin-3(2h)-one, 2-acetyl-4,6-dimethyl-, 1,1-dioxide

Structural Information

Molecular Formula
C10H10N2O4S
SMILES
CC1=CC(=NC2=C1C(=O)N(S2(=O)=O)C(=O)C)C
InChI
InChI=1S/C10H10N2O4S/c1-5-4-6(2)11-9-8(5)10(14)12(7(3)13)17(9,15)16/h4H,1-3H3
InChIKey
YYZJEMSIPAASOJ-UHFFFAOYSA-N
Compound name
2-acetyl-4,6-dimethyl-1,1-dioxo-[1,2]thiazolo[5,4-b]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.03613 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.04341 148.1
[M+Na]+ 277.02535 161.4
[M-H]- 253.02885 151.8
[M+NH4]+ 272.06995 168.8
[M+K]+ 292.99929 158.5
[M+H-H2O]+ 237.03339 143.6
[M+HCOO]- 299.03433 164.3
[M+CH3COO]- 313.04998 192.1
[M+Na-2H]- 275.01080 150.0
[M]+ 254.03558 154.7
[M]- 254.03668 154.7
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.