CID 9672025

477731-98-9

Structural Information

Molecular Formula
C18H10Cl3N3O4
SMILES
C1=CC(=C(C=C1NC(=O)C(=O)N/N=C/C2=COC3=C(C2=O)C=C(C=C3)Cl)Cl)Cl
InChI
InChI=1S/C18H10Cl3N3O4/c19-10-1-4-15-12(5-10)16(25)9(8-28-15)7-22-24-18(27)17(26)23-11-2-3-13(20)14(21)6-11/h1-8H,(H,23,26)(H,24,27)/b22-7+
InChIKey
TYDNGNMZDAEWBB-QPJQQBGISA-N
Compound name
N'-[(E)-(6-chloro-4-oxochromen-3-yl)methylideneamino]-N-(3,4-dichlorophenyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.9737 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.98098 197.1
[M+Na]+ 459.96292 207.2
[M-H]- 435.96642 205.5
[M+NH4]+ 455.00752 208.1
[M+K]+ 475.93686 202.2
[M+H-H2O]+ 419.97096 190.8
[M+HCOO]- 481.97190 208.0
[M+CH3COO]- 495.98755 231.9
[M+Na-2H]- 457.94837 200.3
[M]+ 436.97315 204.8
[M]- 436.97425 204.8
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.