CID 3070353

3-(4-chlorophenyl)-2,3,6,7-tetrahydro-2-(2-phenylethyl)-5h-thiazolo(3,2-a)pyrimidin-3-ol

Structural Information

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

0
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 185.0
[M+Na]+ 395.09554 200.1
[M+NH4]+ 390.14014 196.1
[M+K]+ 411.06948 188.2
[M-H]- 371.09904 191.0
[M+Na-2H]- 393.08099 194.6
[M]+ 372.10577 190.0
[M]- 372.10687 190.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.