CID 3067452

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

Structural Information

Molecular Formula
C12H12N2OS
SMILES
C1CSC2=NC(CC(=O)N21)C3=CC=CC=C3
InChI
InChI=1S/C12H12N2OS/c15-11-8-10(9-4-2-1-3-5-9)13-12-14(11)6-7-16-12/h1-5,10H,6-8H2
InChIKey
UXZDBCUMONUNIE-UHFFFAOYSA-N
Compound name
7-phenyl-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

9
Patents

232.06703 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.074306 149.5
[M+Na]+ 255.056248 158.3
[M-H]- 231.059754 154.5
[M+NH4]+ 250.100853 168.3
[M+K]+ 271.030188 154.0
[M+H-H2O]+ 215.064290 142.2
[M+HCOO]- 277.065231 164.0
[M+CH3COO]- 291.080881 161.7
[M+Na-2H]- 253.041696 151.6
[M]+ 232.06648142 148.4
[M]- 232.06757858 148.4
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