CID 9574660

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

Structural Information

Molecular Formula
C22H16ClN3O2S
SMILES
C=CCN\1C(=CS/C1=N\N=C\C2=CC=C(C=C2)Cl)C3=CC4=CC=CC=C4OC3=O
InChI
InChI=1S/C22H16ClN3O2S/c1-2-11-26-19(18-12-16-5-3-4-6-20(16)28-21(18)27)14-29-22(26)25-24-13-15-7-9-17(23)10-8-15/h2-10,12-14H,1,11H2/b24-13+,25-22-
InChIKey
WXLQFEWDKUIUTM-ZKHPXSKESA-N
Compound name
3-[(2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazol-4-yl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

421.0652 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.07248 203.0
[M+Na]+ 444.05442 215.9
[M-H]- 420.05792 216.8
[M+NH4]+ 439.09902 216.0
[M+K]+ 460.02836 208.2
[M+H-H2O]+ 404.06246 193.8
[M+HCOO]- 466.06340 222.2
[M+CH3COO]- 480.07905 214.9
[M+Na-2H]- 442.03987 205.8
[M]+ 421.06465 212.9
[M]- 421.06575 212.9
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.