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

6
Patents

232.06703 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.07431 149.5
[M+Na]+ 255.05625 158.3
[M-H]- 231.05975 154.5
[M+NH4]+ 250.10085 168.3
[M+K]+ 271.03019 154.0
[M+H-H2O]+ 215.06429 142.2
[M+HCOO]- 277.06523 164.0
[M+CH3COO]- 291.08088 161.7
[M+Na-2H]- 253.04170 151.6
[M]+ 232.06648 148.4
[M]- 232.06758 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