CID 3070361

86346-96-5

Structural Information

Molecular Formula
C20H20Cl2N2OS
SMILES
C1CN=C2N(C1)C(C(S2)CCC3=CC=CC=C3)(C4=CC(=C(C=C4)Cl)Cl)O
InChI
InChI=1S/C20H20Cl2N2OS/c21-16-9-8-15(13-17(16)22)20(25)18(10-7-14-5-2-1-3-6-14)26-19-23-11-4-12-24(19)20/h1-3,5-6,8-9,13,18,25H,4,7,10-12H2
InChIKey
CKWHGJQTKKBLLX-UHFFFAOYSA-N
Compound name
3-(3,4-dichlorophenyl)-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

406.06735 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.07463 191.0
[M+Na]+ 429.05657 200.2
[M-H]- 405.06007 196.8
[M+NH4]+ 424.10117 205.2
[M+K]+ 445.03051 191.7
[M+H-H2O]+ 389.06461 183.1
[M+HCOO]- 451.06555 192.9
[M+CH3COO]- 465.08120 199.7
[M+Na-2H]- 427.04202 189.8
[M]+ 406.06680 193.3
[M]- 406.06790 193.3
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.