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]+ 239.048486 147.8
[M+Na]+ 261.030428 161.4
[M-H]- 237.033934 151.9
[M+NH4]+ 256.075033 167.6
[M+K]+ 277.004368 158.3
[M+H-H2O]+ 221.038470 142.1
[M+HCOO]- 283.039411 166.5
[M+CH3COO]- 297.055061 189.3
[M+Na-2H]- 259.015876 150.1
[M]+ 238.04066142 156.3
[M]- 238.04175858 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.