CID 24688419

446829-29-4

Structural Information

Molecular Formula
C13H8N2O3S
SMILES
C1=CC=C(C=C1)C2=CSC3=NC=C(C(=O)N23)C(=O)O
InChI
InChI=1S/C13H8N2O3S/c16-11-9(12(17)18)6-14-13-15(11)10(7-19-13)8-4-2-1-3-5-8/h1-7H,(H,17,18)
InChIKey
XVIVXZZHTYSUOX-UHFFFAOYSA-N
Compound name
5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.02557 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.032846 156.7
[M+Na]+ 295.014788 168.9
[M-H]- 271.018294 162.2
[M+NH4]+ 290.059393 173.3
[M+K]+ 310.988728 163.7
[M+H-H2O]+ 255.022830 149.8
[M+HCOO]- 317.023771 174.4
[M+CH3COO]- 331.039421 169.7
[M+Na-2H]- 293.000236 160.2
[M]+ 272.02502142 161.6
[M]- 272.02611858 161.6
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.