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 179.2
[M+Na]+ 361.13452 186.0
[M-H]- 337.13802 185.2
[M+NH4]+ 356.17912 194.3
[M+K]+ 377.10846 179.3
[M+H-H2O]+ 321.14256 170.1
[M+HCOO]- 383.14350 190.8
[M+CH3COO]- 397.15915 188.5
[M+Na-2H]- 359.11997 180.5
[M]+ 338.14475 177.4
[M]- 338.14585 177.4
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

No patent data available for this compound.