CID 9681633

N'-((6-cl-4-oxo-4h-chromen-3-yl)methylene)-2-(2,3-dichlorophenoxy)acetohydrazide

Structural Information

Molecular Formula
C18H11Cl3N2O4
SMILES
C1=CC(=C(C(=C1)Cl)Cl)OCC(=O)N/N=C/C2=COC3=C(C2=O)C=C(C=C3)Cl
InChI
InChI=1S/C18H11Cl3N2O4/c19-11-4-5-14-12(6-11)18(25)10(8-26-14)7-22-23-16(24)9-27-15-3-1-2-13(20)17(15)21/h1-8H,9H2,(H,23,24)/b22-7+
InChIKey
JUMRUROVSBNVQX-QPJQQBGISA-N
Compound name
N-[(E)-(6-chloro-4-oxochromen-3-yl)methylideneamino]-2-(2,3-dichlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.97845 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.98573 192.7
[M+Na]+ 446.96767 203.5
[M-H]- 422.97117 200.9
[M+NH4]+ 442.01227 204.5
[M+K]+ 462.94161 198.4
[M+H-H2O]+ 406.97571 186.1
[M+HCOO]- 468.97665 203.2
[M+CH3COO]- 482.99230 227.8
[M+Na-2H]- 444.95312 196.5
[M]+ 423.97790 202.1
[M]- 423.97900 202.1
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.