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]+ 273.03285 156.7
[M+Na]+ 295.01479 168.9
[M-H]- 271.01829 162.2
[M+NH4]+ 290.05939 173.3
[M+K]+ 310.98873 163.7
[M+H-H2O]+ 255.02283 149.8
[M+HCOO]- 317.02377 174.4
[M+CH3COO]- 331.03942 169.7
[M+Na-2H]- 293.00024 160.2
[M]+ 272.02502 161.6
[M]- 272.02612 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.