CID 3070326

2-phenethyl-3-(3-chlorophenyl)-2,3,6,7-tetrahydro-5h-thiazolo(3,2-a)pyrimidin-3-ol hcl

Structural Information

Molecular Formula
C20H21ClN2OS
SMILES
C1CN=C2N(C1)C(C(S2)CCC3=CC=CC=C3)(C4=CC(=CC=C4)Cl)O
InChI
InChI=1S/C20H21ClN2OS/c21-17-9-4-8-16(14-17)20(24)18(11-10-15-6-2-1-3-7-15)25-19-22-12-5-13-23(19)20/h1-4,6-9,14,18,24H,5,10-13H2
InChIKey
FRTZXLZPVDTOMN-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)-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

3
Patents

372.10632 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.11360 185.7
[M+Na]+ 395.09554 193.9
[M-H]- 371.09904 191.9
[M+NH4]+ 390.14014 200.6
[M+K]+ 411.06948 186.0
[M+H-H2O]+ 355.10358 177.2
[M+HCOO]- 417.10452 192.6
[M+CH3COO]- 431.12017 194.9
[M+Na-2H]- 393.08099 185.9
[M]+ 372.10577 186.4
[M]- 372.10687 186.4
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