CID 13379284

Brn 4533336

Structural Information

Molecular Formula
C11H9N5O2S
SMILES
C1CSC2=NC=C(C(=O)N21)C(=O)NC3=NC=CC=N3
InChI
InChI=1S/C11H9N5O2S/c17-8(15-10-12-2-1-3-13-10)7-6-14-11-16(9(7)18)4-5-19-11/h1-3,6H,4-5H2,(H,12,13,15,17)
InChIKey
BUOODJPPQOGNHJ-UHFFFAOYSA-N
Compound name
5-oxo-N-pyrimidin-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

275.0477 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.05498 157.4
[M+Na]+ 298.03692 167.5
[M-H]- 274.04042 160.6
[M+NH4]+ 293.08152 171.2
[M+K]+ 314.01086 162.8
[M+H-H2O]+ 258.04496 148.7
[M+HCOO]- 320.04590 172.7
[M+CH3COO]- 334.06155 168.7
[M+Na-2H]- 296.02237 161.7
[M]+ 275.04715 159.0
[M]- 275.04825 159.0
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.