CID 54711789

Chembl218164

Structural Information

Molecular Formula
C10H10N2O4S
SMILES
CCN1C2=C(C(=C(C1=O)C(=O)OC)O)N=CS2
InChI
InChI=1S/C10H10N2O4S/c1-3-12-8(14)5(10(15)16-2)7(13)6-9(12)17-4-11-6/h4,13H,3H2,1-2H3
InChIKey
PICAMRICRGJLBS-UHFFFAOYSA-N
Compound name
methyl 4-ethyl-7-hydroxy-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

254.03613 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.04341 151.2
[M+Na]+ 277.02535 163.8
[M-H]- 253.02885 153.7
[M+NH4]+ 272.06995 169.2
[M+K]+ 292.99929 160.5
[M+H-H2O]+ 237.03339 145.4
[M+HCOO]- 299.03433 168.4
[M+CH3COO]- 313.04998 189.7
[M+Na-2H]- 275.01080 153.2
[M]+ 254.03558 159.2
[M]- 254.03668 159.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.