CID 135499521

4-(3-coumarinyl)-3-ethyl thiazole-2-one 2-hydroxy-5-bromobenzylidene hydrazone

Structural Information

Molecular Formula
C21H16BrN3O3S
SMILES
CCN\1C(=CS/C1=N\N=C\C2=C(C=CC(=C2)Br)O)C3=CC4=CC=CC=C4OC3=O
InChI
InChI=1S/C21H16BrN3O3S/c1-2-25-17(16-10-13-5-3-4-6-19(13)28-20(16)27)12-29-21(25)24-23-11-14-9-15(22)7-8-18(14)26/h3-12,26H,2H2,1H3/b23-11+,24-21-
InChIKey
NDLRUJWFIYCDOM-VLFOJNRWSA-N
Compound name
3-[(2Z)-2-[(E)-(5-bromo-2-hydroxyphenyl)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

469.00958 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.016856 195.0
[M+Na]+ 491.998798 209.4
[M-H]- 468.002304 209.9
[M+NH4]+ 487.043403 208.6
[M+K]+ 507.972738 196.7
[M+H-H2O]+ 452.006840 192.3
[M+HCOO]- 514.007781 215.3
[M+CH3COO]- 528.023431 208.5
[M+Na-2H]- 489.984246 199.9
[M]+ 469.00903142 220.9
[M]- 469.01012858 220.9
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.