CID 9574658

4-(3-coumarinyl)-3-ethylthiazole-2-one-4-chlorobenzlidene hydrazone

Structural Information

Molecular Formula
C21H16ClN3O2S
SMILES
CCN\1C(=CS/C1=N\N=C\C2=CC=C(C=C2)Cl)C3=CC4=CC=CC=C4OC3=O
InChI
InChI=1S/C21H16ClN3O2S/c1-2-25-18(17-11-15-5-3-4-6-19(15)27-20(17)26)13-28-21(25)24-23-12-14-7-9-16(22)10-8-14/h3-13H,2H2,1H3/b23-12+,24-21-
InChIKey
ZWEQQLYZVXUNKK-VCASSKIBSA-N
Compound name
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

409.0652 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.07248 198.8
[M+Na]+ 432.05442 211.9
[M-H]- 408.05792 212.8
[M+NH4]+ 427.09902 212.4
[M+K]+ 448.02836 205.0
[M+H-H2O]+ 392.06246 189.8
[M+HCOO]- 454.06340 218.2
[M+CH3COO]- 468.07905 211.1
[M+Na-2H]- 430.03987 202.2
[M]+ 409.06465 209.1
[M]- 409.06575 209.1
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.