CID 9574662

4-(3-coumarinyl)-3-(n-butyl)thiazole-2-one-4-chlorobenzlidene hydrazone

Structural Information

Molecular Formula
C23H20ClN3O2S
SMILES
CCCCN\1C(=CS/C1=N\N=C\C2=CC=C(C=C2)Cl)C3=CC4=CC=CC=C4OC3=O
InChI
InChI=1S/C23H20ClN3O2S/c1-2-3-12-27-20(19-13-17-6-4-5-7-21(17)29-22(19)28)15-30-23(27)26-25-14-16-8-10-18(24)11-9-16/h4-11,13-15H,2-3,12H2,1H3/b25-14+,26-23-
InChIKey
VGHHDIPGABSFSS-YMAOWCHGSA-N
Compound name
3-[(2Z)-3-butyl-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazol-4-yl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

437.09647 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.10375 207.7
[M+Na]+ 460.08569 219.8
[M-H]- 436.08919 221.2
[M+NH4]+ 455.13029 220.0
[M+K]+ 476.05963 212.5
[M+H-H2O]+ 420.09373 198.1
[M+HCOO]- 482.09467 226.3
[M+CH3COO]- 496.11032 219.0
[M+Na-2H]- 458.07114 210.0
[M]+ 437.09592 218.5
[M]- 437.09702 218.5
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.