CID 9660203

477734-87-5

Structural Information

Molecular Formula
C18H13Cl2N3O2
SMILES
C1=CC=C2C(=C1)C=C(C(=N2)Cl)/C=N/NC(=O)COC3=CC=CC=C3Cl
InChI
InChI=1S/C18H13Cl2N3O2/c19-14-6-2-4-8-16(14)25-11-17(24)23-21-10-13-9-12-5-1-3-7-15(12)22-18(13)20/h1-10H,11H2,(H,23,24)/b21-10+
InChIKey
GIMIDZXARURINW-UFFVCSGVSA-N
Compound name
2-(2-chlorophenoxy)-N-[(E)-(2-chloroquinolin-3-yl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.03848 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.045756 182.9
[M+Na]+ 396.027698 191.9
[M-H]- 372.031204 189.4
[M+NH4]+ 391.072303 195.9
[M+K]+ 412.001638 184.9
[M+H-H2O]+ 356.035740 174.2
[M+HCOO]- 418.036681 197.8
[M+CH3COO]- 432.052331 219.8
[M+Na-2H]- 394.013146 188.7
[M]+ 373.03793142 188.6
[M]- 373.03902858 188.6
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.