CID 5157252

350699-84-2

Structural Information

Molecular Formula
C22H15Cl4N3O
SMILES
C1CC2=C(C(C(=C(N2C3=CC(=C(C=C3)Cl)Cl)N)C#N)C4=C(C=C(C=C4)Cl)Cl)C(=O)C1
InChI
InChI=1S/C22H15Cl4N3O/c23-11-4-6-13(16(25)8-11)20-14(10-27)22(28)29(12-5-7-15(24)17(26)9-12)18-2-1-3-19(30)21(18)20/h4-9,20H,1-3,28H2
InChIKey
CXBYJPYEXNVREW-UHFFFAOYSA-N
Compound name
2-amino-4-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.99692 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.00420 210.9
[M+Na]+ 499.98614 224.2
[M-H]- 475.98964 214.0
[M+NH4]+ 495.03074 219.0
[M+K]+ 515.96008 212.7
[M+H-H2O]+ 459.99418 198.1
[M+HCOO]- 521.99512 207.2
[M+CH3COO]- 536.01077 216.3
[M+Na-2H]- 497.97159 206.3
[M]+ 476.99637 206.8
[M]- 476.99747 206.8
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.