CID 3040544

52419-76-8

Structural Information

Molecular Formula

C₂₄H₃₁N₃OS

SMILES

CCCCN1CCC2(CC1)CN=C3N(C2)C(CS3)(C4=CC5=CC=CC=C5C=C4)O

InChI

InChI=1S/C24H31N3OS/c1-2-3-12-26-13-10-23(11-14-26)16-25-22-27(17-23)24(28,18-29-22)21-9-8-19-6-4-5-7-20(19)15-21/h4-9,15,28H,2-3,10-14,16-18H2,1H3

InChIKey

YBWSPPRELFVRSD-UHFFFAOYSA-N

Compound name

1'-butyl-3-naphthalen-2-ylspiro[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: 409.21878 Da
Monoisotopic Mass: 4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	410.226056	198.6
[M+Na]+	432.207998	204.3
[M-H]-	408.211504	201.8
[M+NH4]+	427.252603	212.6
[M+K]+	448.181938	196.9
[M+H-H2O]+	392.216040	187.6
[M+HCOO]-	454.216981	202.9
[M+CH3COO]-	468.232631	205.0
[M+Na-2H]-	430.193446	198.8
[M]+	409.21823142	194.7
[M]-	409.21932858	194.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.