CID 9574667

4-(6-bromo-3-coumarinyl)-3-ethylthiazole-2-one-4-chlorobenzylidene hydrazone

Structural Information

Molecular Formula
C21H15BrClN3O2S
SMILES
CCN\1C(=CS/C1=N\N=C\C2=CC=C(C=C2)Cl)C3=CC4=C(C=CC(=C4)Br)OC3=O
InChI
InChI=1S/C21H15BrClN3O2S/c1-2-26-18(17-10-14-9-15(22)5-8-19(14)28-20(17)27)12-29-21(26)25-24-11-13-3-6-16(23)7-4-13/h3-12H,2H2,1H3/b24-11+,25-21-
InChIKey
NZDHKOJPOOOOIP-RDWBYJSESA-N
Compound name
6-bromo-3-[(2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-ethyl-1,3-thiazol-4-yl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

486.97568 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.98296 199.8
[M+Na]+ 509.96490 216.0
[M-H]- 485.96840 215.9
[M+NH4]+ 505.00950 214.5
[M+K]+ 525.93884 202.1
[M+H-H2O]+ 469.97294 197.6
[M+HCOO]- 531.97388 216.9
[M+CH3COO]- 545.98953 213.8
[M+Na-2H]- 507.95035 204.2
[M]+ 486.97513 228.3
[M]- 486.97623 228.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.