CID 473172

2-(3,4-dichlorophenyl)-3-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-5-methyl-thiazolidin-4-one

Structural Information

Molecular Formula
C20H21Cl2NO2S
SMILES
CC1C(=O)N(C(S1)C2=CC(=C(C=C2)Cl)Cl)C3=CC(=C(C=C3C)O)C(C)C
InChI
InChI=1S/C20H21Cl2NO2S/c1-10(2)14-9-17(11(3)7-18(14)24)23-19(25)12(4)26-20(23)13-5-6-15(21)16(22)8-13/h5-10,12,20,24H,1-4H3
InChIKey
UBANHXFCICSHMD-UHFFFAOYSA-N
Compound name
2-(3,4-dichlorophenyl)-3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-5-methyl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.06702 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.07430 192.7
[M+Na]+ 432.05624 203.4
[M-H]- 408.05974 200.6
[M+NH4]+ 427.10084 206.3
[M+K]+ 448.03018 195.5
[M+H-H2O]+ 392.06428 187.1
[M+HCOO]- 454.06522 196.5
[M+CH3COO]- 468.08087 221.4
[M+Na-2H]- 430.04169 185.0
[M]+ 409.06647 198.5
[M]- 409.06757 198.5
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.