CID 54711791

Chembl218895

Structural Information

Molecular Formula
C14H10N2O4S
SMILES
COC(=O)C1=C(C2=C(N(C1=O)C3=CC=CC=C3)SC=N2)O
InChI
InChI=1S/C14H10N2O4S/c1-20-14(19)9-11(17)10-13(21-7-15-10)16(12(9)18)8-5-3-2-4-6-8/h2-7,17H,1H3
InChIKey
SYKWTEZBKDDBDX-UHFFFAOYSA-N
Compound name
methyl 7-hydroxy-5-oxo-4-phenyl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.03613 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.04341 164.5
[M+Na]+ 325.02535 176.9
[M-H]- 301.02885 170.3
[M+NH4]+ 320.06995 180.2
[M+K]+ 340.99929 172.1
[M+H-H2O]+ 285.03339 157.5
[M+HCOO]- 347.03433 182.1
[M+CH3COO]- 361.04998 177.2
[M+Na-2H]- 323.01080 167.1
[M]+ 302.03558 171.5
[M]- 302.03668 171.5
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.