CID 3040534

52419-67-7

Structural Information

Molecular Formula

C₂₂H₃₃N₃O₃S

SMILES

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

InChI

InChI=1S/C22H33N3O3S/c1-4-5-10-24-11-8-21(9-12-24)14-23-20-25(15-21)22(26,16-29-20)18-13-17(27-2)6-7-19(18)28-3/h6-7,13,26H,4-5,8-12,14-16H2,1-3H3

InChIKey

UZEKXLDJUGJXCY-UHFFFAOYSA-N

Compound name

1'-butyl-3-(2,5-dimethoxyphenyl)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: 419.22427 Da
Monoisotopic Mass: 2.7
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]+	420.231546	200.0
[M+Na]+	442.213488	205.4
[M-H]-	418.216994	202.8
[M+NH4]+	437.258093	213.0
[M+K]+	458.187428	200.4
[M+H-H2O]+	402.221530	190.6
[M+HCOO]-	464.222471	205.4
[M+CH3COO]-	478.238121	206.7
[M+Na-2H]-	440.198936	198.7
[M]+	419.22372142	200.0
[M]-	419.22481858	200.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.