CID 3040542

52419-72-4

Structural Information

Molecular Formula
C27H33N3OS
SMILES
C1CCC2=C(C1)C=CC(=C2)C3(CSC4=NCC5(CCN(CC5)CC6=CC=CC=C6)CN43)O
InChI
InChI=1S/C27H33N3OS/c31-27(24-11-10-22-8-4-5-9-23(22)16-24)20-32-25-28-18-26(19-30(25)27)12-14-29(15-13-26)17-21-6-2-1-3-7-21/h1-3,6-7,10-11,16,31H,4-5,8-9,12-15,17-20H2
InChIKey
LLVYFTOTALOPMD-UHFFFAOYSA-N
Compound name
1'-benzyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)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

447.23444 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.24172 207.1
[M+Na]+ 470.22366 220.0
[M+NH4]+ 465.26826 219.3
[M+K]+ 486.19760 206.3
[M-H]- 446.22716 214.1
[M+Na-2H]- 468.20911 216.0
[M]+ 447.23389 211.8
[M]- 447.23499 211.8
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.