CID 11948201

Schembl12155467

Structural Information

Molecular Formula
C24H17Cl4NO2
SMILES
CN1C2=CC=CC=C2C(=C(C1=O)CC3=CC(=C(C=C3)Cl)Cl)OCC4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C24H17Cl4NO2/c1-29-22-5-3-2-4-16(22)23(31-13-15-7-9-19(26)21(28)12-15)17(24(29)30)10-14-6-8-18(25)20(27)11-14/h2-9,11-12H,10,13H2,1H3
InChIKey
DWSRIDNPGQPDFU-UHFFFAOYSA-N
Compound name
4-[(3,4-dichlorophenyl)methoxy]-3-[(3,4-dichlorophenyl)methyl]-1-methylquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

491.00134 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.00862 208.2
[M+Na]+ 513.99056 220.3
[M-H]- 489.99406 213.8
[M+NH4]+ 509.03516 217.2
[M+K]+ 529.96450 212.1
[M+H-H2O]+ 473.99860 199.1
[M+HCOO]- 535.99954 208.3
[M+CH3COO]- 550.01519 216.0
[M+Na-2H]- 511.97601 206.7
[M]+ 491.00079 215.9
[M]- 491.00189 215.9
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

patents stripe