CID 375565

Nsc655353

Structural Information

Molecular Formula
C17H12Cl2N2OS
SMILES
C1C(=O)N(C(S1)C2=CNC3=CC=CC=C32)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C17H12Cl2N2OS/c18-10-5-6-15(13(19)7-10)21-16(22)9-23-17(21)12-8-20-14-4-2-1-3-11(12)14/h1-8,17,20H,9H2
InChIKey
ZVOOSKBMTOEWQD-UHFFFAOYSA-N
Compound name
3-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.00473 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.01201 182.6
[M+Na]+ 384.99395 195.6
[M-H]- 360.99745 190.4
[M+NH4]+ 380.03855 199.1
[M+K]+ 400.96789 186.9
[M+H-H2O]+ 345.00199 176.4
[M+HCOO]- 407.00293 189.2
[M+CH3COO]- 421.01858 193.8
[M+Na-2H]- 382.97940 179.5
[M]+ 362.00418 187.2
[M]- 362.00528 187.2
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.