CID 3040592

52501-97-0

Structural Information

Molecular Formula
C24H29N3O2S
SMILES
COC1=CC=CC=C1C2(CSC3=NCC4(CCN(CC4)CC5=CC=CC=C5)CN32)O
InChI
InChI=1S/C24H29N3O2S/c1-29-21-10-6-5-9-20(21)24(28)18-30-22-25-16-23(17-27(22)24)11-13-26(14-12-23)15-19-7-3-2-4-8-19/h2-10,28H,11-18H2,1H3
InChIKey
SNHBRMRWWFIZFB-UHFFFAOYSA-N
Compound name
1'-benzyl-3-(2-methoxyphenyl)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

423.19806 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.20534 201.2
[M+Na]+ 446.18728 206.7
[M-H]- 422.19078 207.0
[M+NH4]+ 441.23188 213.2
[M+K]+ 462.16122 200.0
[M+H-H2O]+ 406.19532 189.7
[M+HCOO]- 468.19626 207.3
[M+CH3COO]- 482.21191 207.7
[M+Na-2H]- 444.17273 201.0
[M]+ 423.19751 197.3
[M]- 423.19861 197.3
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.