CID 6448118

7-(1-propenyl)-2,3,6,7-tetrahydro-5h-thiazolo(3,2-a)pyrimidin-5-one

Structural Information

Molecular Formula
C9H12N2OS
SMILES
C/C=C/C1CC(=O)N2CCSC2=N1
InChI
InChI=1S/C9H12N2OS/c1-2-3-7-6-8(12)11-4-5-13-9(11)10-7/h2-3,7H,4-6H2,1H3/b3-2+
InChIKey
YKUVUCCDVRYASK-NSCUHMNNSA-N
Compound name
7-[(E)-prop-1-enyl]-2,3,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

196.06703 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.07431 142.1
[M+Na]+ 219.05625 150.9
[M-H]- 195.05975 143.8
[M+NH4]+ 214.10085 162.7
[M+K]+ 235.03019 147.6
[M+H-H2O]+ 179.06429 136.0
[M+HCOO]- 241.06523 156.0
[M+CH3COO]- 255.08088 180.9
[M+Na-2H]- 217.04170 143.2
[M]+ 196.06648 141.6
[M]- 196.06758 141.6
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

patents stripe