CID 3070352

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

Structural Information

Molecular Formula
C20H22N2OS
SMILES
C1CN=C2N(C1)C(C(S2)CCC3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C20H22N2OS/c23-20(17-10-5-2-6-11-17)18(13-12-16-8-3-1-4-9-16)24-19-21-14-7-15-22(19)20/h1-6,8-11,18,23H,7,12-15H2
InChIKey
SEWXAQRQJXCXSH-UHFFFAOYSA-N
Compound name
3-phenyl-2-(2-phenylethyl)-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.1453 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.15258 178.5
[M+Na]+ 361.13452 192.4
[M+NH4]+ 356.17912 189.4
[M+K]+ 377.10846 181.3
[M-H]- 337.13802 184.5
[M+Na-2H]- 359.11997 188.3
[M]+ 338.14475 182.9
[M]- 338.14585 182.9
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.