CID 9604701

3-[(2z)-3-benzyl-2-[(e)-(3,4-dichlorophenyl)methylenehydrazono]thiazol-4-yl]chromen-2-one

Structural Information

Molecular Formula
C26H17Cl2N3O2S
SMILES
C1=CC=C(C=C1)CN\2C(=CS/C2=N\N=C\C3=CC(=C(C=C3)Cl)Cl)C4=CC5=CC=CC=C5OC4=O
InChI
InChI=1S/C26H17Cl2N3O2S/c27-21-11-10-18(12-22(21)28)14-29-30-26-31(15-17-6-2-1-3-7-17)23(16-34-26)20-13-19-8-4-5-9-24(19)33-25(20)32/h1-14,16H,15H2/b29-14+,30-26-
InChIKey
XIELLVGAASNDEO-ULCBMEEZSA-N
Compound name
3-[(2Z)-3-benzyl-2-[(E)-(3,4-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazol-4-yl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

505.04184 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.04912 224.3
[M+Na]+ 528.03106 237.3
[M-H]- 504.03456 240.0
[M+NH4]+ 523.07566 233.9
[M+K]+ 544.00500 229.0
[M+H-H2O]+ 488.03910 214.0
[M+HCOO]- 550.04004 237.8
[M+CH3COO]- 564.05569 234.4
[M+Na-2H]- 526.01651 225.6
[M]+ 505.04129 235.4
[M]- 505.04239 235.4
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.