CID 3075458

182188-90-5

Structural Information

Molecular Formula
C23H27ClN2O2S
SMILES
C1CN(CCC1(C2=CC=CC=C2)O)CCCN3C(SCC3=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H27ClN2O2S/c24-20-9-7-18(8-10-20)22-26(21(27)17-29-22)14-4-13-25-15-11-23(28,12-16-25)19-5-2-1-3-6-19/h1-3,5-10,22,28H,4,11-17H2
InChIKey
RCCWIMACWPMJIP-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.14816 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.15544 202.3
[M+Na]+ 453.13738 207.9
[M-H]- 429.14088 209.9
[M+NH4]+ 448.18198 213.3
[M+K]+ 469.11132 200.0
[M+H-H2O]+ 413.14542 192.7
[M+HCOO]- 475.14636 207.2
[M+CH3COO]- 489.16201 209.5
[M+Na-2H]- 451.12283 197.9
[M]+ 430.14761 200.9
[M]- 430.14871 200.9
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.