CID 16448144

301306-20-7

Structural Information

Molecular Formula
C24H20BrN3O2S
SMILES
C=CCN\1C(=O)C(S/C1=N/N=C/C2=CC=C(O2)C3=CC=C(C=C3)Br)CC4=CC=CC=C4
InChI
InChI=1S/C24H20BrN3O2S/c1-2-14-28-23(29)22(15-17-6-4-3-5-7-17)31-24(28)27-26-16-20-12-13-21(30-20)18-8-10-19(25)11-9-18/h2-13,16,22H,1,14-15H2/b26-16+,27-24+
InChIKey
OMUMTLUSLRNCSH-TXRJCFMDSA-N
Compound name
(2E)-5-benzyl-2-[(E)-[5-(4-bromophenyl)furan-2-yl]methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.04596 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.05324 205.6
[M+Na]+ 516.03518 209.0
[M+NH4]+ 511.07978 209.2
[M+K]+ 532.00912 207.6
[M-H]- 492.03868 212.4
[M+Na-2H]- 514.02063 210.1
[M]+ 493.04541 207.2
[M]- 493.04651 207.2
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.