CID 3070359

86346-95-4

Structural Information

Molecular Formula
C20H21ClN2OS
SMILES
C1CN=C2N(C1)C(C(S2)CCC3=CC=CC=C3)(C4=CC=CC=C4Cl)O
InChI
InChI=1S/C20H21ClN2OS/c21-17-10-5-4-9-16(17)20(24)18(12-11-15-7-2-1-3-8-15)25-19-22-13-6-14-23(19)20/h1-5,7-10,18,24H,6,11-14H2
InChIKey
KLQJEBWZTGGLHZ-UHFFFAOYSA-N
Compound name
3-(2-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.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.