CID 13397858

Isothiazolo(5,4-b)pyridine-2-carboxylic acid, 2,3-dihydro-4,6-dimethyl-3-oxo-, methyl ester

Structural Information

Molecular Formula
C10H10N2O3S
SMILES
CC1=CC(=NC2=C1C(=O)N(S2)C(=O)OC)C
InChI
InChI=1S/C10H10N2O3S/c1-5-4-6(2)11-8-7(5)9(13)12(16-8)10(14)15-3/h4H,1-3H3
InChIKey
IRCAKCBMHCNBDP-UHFFFAOYSA-N
Compound name
methyl 4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.04121 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.04849 147.8
[M+Na]+ 261.03043 161.4
[M-H]- 237.03393 151.9
[M+NH4]+ 256.07503 167.6
[M+K]+ 277.00437 158.3
[M+H-H2O]+ 221.03847 142.1
[M+HCOO]- 283.03941 166.5
[M+CH3COO]- 297.05506 189.3
[M+Na-2H]- 259.01588 150.1
[M]+ 238.04066 156.3
[M]- 238.04176 156.3
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

No patent data available for this compound.