CID 9654910

2-(2-chlorophenoxy)-n'-((4-oxo-4h-chromen-3-yl)methylene)acetohydrazide

Structural Information

Molecular Formula
C18H13ClN2O4
SMILES
C1=CC=C2C(=C1)C(=O)C(=CO2)/C=N/NC(=O)COC3=CC=CC=C3Cl
InChI
InChI=1S/C18H13ClN2O4/c19-14-6-2-4-8-16(14)25-11-17(22)21-20-9-12-10-24-15-7-3-1-5-13(15)18(12)23/h1-10H,11H2,(H,21,22)/b20-9+
InChIKey
BXXPCINGQKNCDD-AWQFTUOYSA-N
Compound name
2-(2-chlorophenoxy)-N-[(E)-(4-oxochromen-3-yl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.0564 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.06368 179.8
[M+Na]+ 379.04562 188.7
[M-H]- 355.04912 189.6
[M+NH4]+ 374.09022 193.1
[M+K]+ 395.01956 184.8
[M+H-H2O]+ 339.05366 171.2
[M+HCOO]- 401.05460 200.9
[M+CH3COO]- 415.07025 217.2
[M+Na-2H]- 377.03107 187.1
[M]+ 356.05585 186.5
[M]- 356.05695 186.5
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.