CID 6448363

3-(((4-bromophenyl)amino)methyl)-5-(3-phenyl-2-propenylidene)-2-thioxo-4-thiazolidinone

Structural Information

Molecular Formula
C19H15BrN2OS2
SMILES
C1=CC=C(C=C1)/C=C/C=C/2\C(=O)N(C(=S)S2)CNC3=CC=C(C=C3)Br
InChI
InChI=1S/C19H15BrN2OS2/c20-15-9-11-16(12-10-15)21-13-22-18(23)17(25-19(22)24)8-4-7-14-5-2-1-3-6-14/h1-12,21H,13H2/b7-4+,17-8+
InChIKey
RCZJEKZCKJPQDO-AQHRCUNFSA-N
Compound name
(5E)-3-[(4-bromoanilino)methyl]-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.98093 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.98821 177.0
[M+Na]+ 452.97015 189.1
[M-H]- 428.97365 187.6
[M+NH4]+ 448.01475 192.5
[M+K]+ 468.94409 172.3
[M+H-H2O]+ 412.97819 176.4
[M+HCOO]- 474.97913 188.1
[M+CH3COO]- 488.99478 189.2
[M+Na-2H]- 450.95560 176.9
[M]+ 429.98038 195.3
[M]- 429.98148 195.3
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.