CID 9676480

477734-29-5

Structural Information

Molecular Formula
C18H12Cl2N2O4
SMILES
C1=CC=C2C(=C1)C(=O)C(=CO2)/C=N/NC(=O)COC3=C(C(=CC=C3)Cl)Cl
InChI
InChI=1S/C18H12Cl2N2O4/c19-13-5-3-7-15(17(13)20)26-10-16(23)22-21-8-11-9-25-14-6-2-1-4-12(14)18(11)24/h1-9H,10H2,(H,22,23)/b21-8+
InChIKey
NBIXHDFZWOBXQI-ODCIPOBUSA-N
Compound name
2-(2,3-dichlorophenoxy)-N-[(E)-(4-oxochromen-3-yl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.01743 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.024706 186.7
[M+Na]+ 413.006648 196.8
[M-H]- 389.010154 196.0
[M+NH4]+ 408.051253 199.4
[M+K]+ 428.980588 192.0
[M+H-H2O]+ 373.014690 179.1
[M+HCOO]- 435.015631 202.7
[M+CH3COO]- 449.031281 222.4
[M+Na-2H]- 410.992096 192.3
[M]+ 390.01688142 195.3
[M]- 390.01797858 195.3
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.