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]+ 374.04576 182.9
[M+Na]+ 396.02770 191.9
[M-H]- 372.03120 189.4
[M+NH4]+ 391.07230 195.9
[M+K]+ 412.00164 184.9
[M+H-H2O]+ 356.03574 174.2
[M+HCOO]- 418.03668 197.8
[M+CH3COO]- 432.05233 219.8
[M+Na-2H]- 394.01315 188.7
[M]+ 373.03793 188.6
[M]- 373.03903 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.