CID 3075457

3-(2-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)ethyl)-2-(4-nitrophenyl)-4-thiazolidinone

Structural Information

Molecular Formula
C22H24ClN3O4S
SMILES
C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCN3C(SCC3=O)C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C22H24ClN3O4S/c23-18-5-3-17(4-6-18)22(28)9-11-24(12-10-22)13-14-25-20(27)15-31-21(25)16-1-7-19(8-2-16)26(29)30/h1-8,21,28H,9-15H2
InChIKey
RESHITNNAAEVSP-UHFFFAOYSA-N
Compound name
3-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2-(4-nitrophenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.1176 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.12488 207.1
[M+Na]+ 484.10682 210.4
[M-H]- 460.11032 214.8
[M+NH4]+ 479.15142 215.4
[M+K]+ 500.08076 199.6
[M+H-H2O]+ 444.11486 202.2
[M+HCOO]- 506.11580 212.9
[M+CH3COO]- 520.13145 219.5
[M+Na-2H]- 482.09227 205.7
[M]+ 461.11705 203.7
[M]- 461.11815 203.7
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.