CID 3075460

182188-92-7

Structural Information

Molecular Formula
C24H29ClN2O2S
SMILES
CC1=CC=C(C=C1)C2N(C(=O)CS2)CCCN3CCC(CC3)(C4=CC=C(C=C4)Cl)O
InChI
InChI=1S/C24H29ClN2O2S/c1-18-3-5-19(6-4-18)23-27(22(28)17-30-23)14-2-13-26-15-11-24(29,12-16-26)20-7-9-21(25)10-8-20/h3-10,23,29H,2,11-17H2,1H3
InChIKey
AHRPIRMUYVNIFK-UHFFFAOYSA-N
Compound name
3-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propyl]-2-(4-methylphenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.16382 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.17110 206.5
[M+Na]+ 467.15304 212.4
[M-H]- 443.15654 214.3
[M+NH4]+ 462.19764 217.2
[M+K]+ 483.12698 204.3
[M+H-H2O]+ 427.16108 197.0
[M+HCOO]- 489.16202 211.0
[M+CH3COO]- 503.17767 213.6
[M+Na-2H]- 465.13849 201.0
[M]+ 444.16327 205.8
[M]- 444.16437 205.8
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.