CID 9671595

477731-26-3

Structural Information

Molecular Formula
C19H14Cl3N3O2
SMILES
CC1=CC2=NC(=C(C=C2C=C1)/C=N/NC(=O)COC3=C(C(=CC=C3)Cl)Cl)Cl
InChI
InChI=1S/C19H14Cl3N3O2/c1-11-5-6-12-8-13(19(22)24-15(12)7-11)9-23-25-17(26)10-27-16-4-2-3-14(20)18(16)21/h2-9H,10H2,1H3,(H,25,26)/b23-9+
InChIKey
KCEWPVZQKDUKAR-NUGSKGIGSA-N
Compound name
N-[(E)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-(2,3-dichlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.01517 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.02245 193.8
[M+Na]+ 444.00439 204.0
[M-H]- 420.00789 199.5
[M+NH4]+ 439.04899 205.6
[M+K]+ 459.97833 196.7
[M+H-H2O]+ 404.01243 186.0
[M+HCOO]- 466.01337 202.9
[M+CH3COO]- 480.02902 229.2
[M+Na-2H]- 441.98984 196.5
[M]+ 421.01462 201.0
[M]- 421.01572 201.0
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.