CID 3040540

52419-71-3

Structural Information

Molecular Formula
C23H25Cl2N3OS
SMILES
C1CN(CCC12CN=C3N(C2)C(CS3)(C4=CC(=C(C=C4)Cl)Cl)O)CC5=CC=CC=C5
InChI
InChI=1S/C23H25Cl2N3OS/c24-19-7-6-18(12-20(19)25)23(29)16-30-21-26-14-22(15-28(21)23)8-10-27(11-9-22)13-17-4-2-1-3-5-17/h1-7,12,29H,8-11,13-16H2
InChIKey
BBOZWEDSKALNTQ-UHFFFAOYSA-N
Compound name
1'-benzyl-3-(3,4-dichlorophenyl)spiro[5,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6,4'-piperidine]-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.10953 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.11681 204.0
[M+Na]+ 484.09875 211.8
[M-H]- 460.10225 209.4
[M+NH4]+ 479.14335 216.2
[M+K]+ 500.07269 203.3
[M+H-H2O]+ 444.10679 193.4
[M+HCOO]- 506.10773 200.9
[M+CH3COO]- 520.12338 210.4
[M+Na-2H]- 482.08420 202.3
[M]+ 461.10898 202.2
[M]- 461.11008 202.2
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.