CID 3040590

52488-15-0

Structural Information

Molecular Formula
C26H41N3O3S
SMILES
CCCCCCCCN1CCC2(CC1)CN=C3N(C2)C(CS3)(C4=C(C=CC(=C4)OC)OC)O
InChI
InChI=1S/C26H41N3O3S/c1-4-5-6-7-8-9-14-28-15-12-25(13-16-28)18-27-24-29(19-25)26(30,20-33-24)22-17-21(31-2)10-11-23(22)32-3/h10-11,17,30H,4-9,12-16,18-20H2,1-3H3
InChIKey
DRJCAUKQEGVZHQ-UHFFFAOYSA-N
Compound name
3-(2,5-dimethoxyphenyl)-1'-octylspiro[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

475.28687 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.29415 217.0
[M+Na]+ 498.27609 226.2
[M+NH4]+ 493.32069 226.0
[M+K]+ 514.25003 214.5
[M-H]- 474.27959 219.6
[M+Na-2H]- 496.26154 221.9
[M]+ 475.28632 219.7
[M]- 475.28742 219.7
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.