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]+ 470.01686 195.0
[M+Na]+ 491.99880 209.4
[M-H]- 468.00230 209.9
[M+NH4]+ 487.04340 208.6
[M+K]+ 507.97274 196.7
[M+H-H2O]+ 452.00684 192.3
[M+HCOO]- 514.00778 215.3
[M+CH3COO]- 528.02343 208.5
[M+Na-2H]- 489.98425 199.9
[M]+ 469.00903 220.9
[M]- 469.01013 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.