CID 9625868

477732-64-2

Structural Information

Molecular Formula
C18H11Cl2N3O4
SMILES
C1=CC=C2C(=C1)C(=O)C(=CO2)/C=N/NC(=O)C(=O)NC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H11Cl2N3O4/c19-13-6-5-11(7-14(13)20)22-17(25)18(26)23-21-8-10-9-27-15-4-2-1-3-12(15)16(10)24/h1-9H,(H,22,25)(H,23,26)/b21-8+
InChIKey
PCWKJHAEMTVQMB-ODCIPOBUSA-N
Compound name
N-(3,4-dichlorophenyl)-N'-[(E)-(4-oxochromen-3-yl)methylideneamino]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.01266 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.01994 188.8
[M+Na]+ 426.00188 203.4
[M+NH4]+ 421.04648 195.4
[M+K]+ 441.97582 195.6
[M-H]- 402.00538 195.1
[M+Na-2H]- 423.98733 195.9
[M]+ 403.01211 193.1
[M]- 403.01321 193.1
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.