CID 135473230

2-((4-bromophenyl)imino)-5-(3,4-dichlorobenzyl)-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C16H11BrCl2N2OS
SMILES
C1=CC(=CC=C1N=C2NC(=O)C(S2)CC3=CC(=C(C=C3)Cl)Cl)Br
InChI
InChI=1S/C16H11BrCl2N2OS/c17-10-2-4-11(5-3-10)20-16-21-15(22)14(23-16)8-9-1-6-12(18)13(19)7-9/h1-7,14H,8H2,(H,20,21,22)
InChIKey
MFFDKMQSIXVXRN-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)imino-5-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.91525 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.92253 180.0
[M+Na]+ 450.90447 194.1
[M-H]- 426.90797 191.0
[M+NH4]+ 445.94907 196.7
[M+K]+ 466.87841 177.8
[M+H-H2O]+ 410.91251 180.1
[M+HCOO]- 472.91345 187.2
[M+CH3COO]- 486.92910 192.8
[M+Na-2H]- 448.88992 180.1
[M]+ 427.91470 201.0
[M]- 427.91580 201.0
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.