CID 13379293

Brn 4495774

Structural Information

Molecular Formula
C8H9N3O3S
SMILES
COC(=O)NC1=CN=C2N(C1=O)CCS2
InChI
InChI=1S/C8H9N3O3S/c1-14-8(13)10-5-4-9-7-11(6(5)12)2-3-15-7/h4H,2-3H2,1H3,(H,10,13)
InChIKey
WYOXHRVVXKHOFX-UHFFFAOYSA-N
Compound name
methyl N-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.03647 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.04375 144.9
[M+Na]+ 250.02569 154.5
[M-H]- 226.02919 147.5
[M+NH4]+ 245.07029 163.8
[M+K]+ 265.99963 152.3
[M+H-H2O]+ 210.03373 138.4
[M+HCOO]- 272.03467 162.3
[M+CH3COO]- 286.05032 186.5
[M+Na-2H]- 248.01114 148.4
[M]+ 227.03592 148.3
[M]- 227.03702 148.3
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.