CID 3040538

52419-70-2

Structural Information

Molecular Formula
C25H31N3O3S
SMILES
COC1=CC(=C(C=C1)OC)C2(CSC3=NCC4(CCN(CC4)CC5=CC=CC=C5)CN32)O
InChI
InChI=1S/C25H31N3O3S/c1-30-20-8-9-22(31-2)21(14-20)25(29)18-32-23-26-16-24(17-28(23)25)10-12-27(13-11-24)15-19-6-4-3-5-7-19/h3-9,14,29H,10-13,15-18H2,1-2H3
InChIKey
OBJNXOSXCZAFLD-UHFFFAOYSA-N
Compound name
1'-benzyl-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

453.20862 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.21590 206.9
[M+Na]+ 476.19784 219.4
[M+NH4]+ 471.24244 217.3
[M+K]+ 492.17178 207.5
[M-H]- 452.20134 212.5
[M+Na-2H]- 474.18329 216.0
[M]+ 453.20807 211.1
[M]- 453.20917 211.1
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.