CID 9681646

477734-47-7

Structural Information

Molecular Formula
C18H12Cl2N2O4
SMILES
C1=CC=C(C(=C1)OCC(=O)N/N=C/C2=COC3=C(C2=O)C=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H12Cl2N2O4/c19-12-5-6-15-13(7-12)18(24)11(9-25-15)8-21-22-17(23)10-26-16-4-2-1-3-14(16)20/h1-9H,10H2,(H,22,23)/b21-8+
InChIKey
BZOJIOLHFGEPKC-ODCIPOBUSA-N
Compound name
N-[(E)-(6-chloro-4-oxochromen-3-yl)methylideneamino]-2-(2-chlorophenoxy)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]+ 391.02471 186.7
[M+Na]+ 413.00665 196.8
[M-H]- 389.01015 196.0
[M+NH4]+ 408.05125 199.4
[M+K]+ 428.98059 192.0
[M+H-H2O]+ 373.01469 179.1
[M+HCOO]- 435.01563 202.7
[M+CH3COO]- 449.03128 222.4
[M+Na-2H]- 410.99210 192.3
[M]+ 390.01688 195.3
[M]- 390.01798 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.