CID 4083509

Brn 4522277

Structural Information

Molecular Formula
C12H10N4O2S
SMILES
C1CSC2=NC=C(C(=O)N21)C(=O)NC3=CC=CC=N3
InChI
InChI=1S/C12H10N4O2S/c17-10(15-9-3-1-2-4-13-9)8-7-14-12-16(11(8)18)5-6-19-12/h1-4,7H,5-6H2,(H,13,15,17)
InChIKey
WXSGHZPPTMUDBG-UHFFFAOYSA-N
Compound name
5-oxo-N-pyridin-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.05246 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.05974 157.6
[M+Na]+ 297.04168 167.2
[M-H]- 273.04518 162.0
[M+NH4]+ 292.08628 172.8
[M+K]+ 313.01562 162.6
[M+H-H2O]+ 257.04972 149.4
[M+HCOO]- 319.05066 173.9
[M+CH3COO]- 333.06631 169.2
[M+Na-2H]- 295.02713 161.5
[M]+ 274.05191 159.1
[M]- 274.05301 159.1
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.