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]+ 357.063676 179.8
[M+Na]+ 379.045618 188.7
[M-H]- 355.049124 189.6
[M+NH4]+ 374.090223 193.1
[M+K]+ 395.019558 184.8
[M+H-H2O]+ 339.053660 171.2
[M+HCOO]- 401.054601 200.9
[M+CH3COO]- 415.070251 217.2
[M+Na-2H]- 377.031066 187.1
[M]+ 356.05585142 186.5
[M]- 356.05694858 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.