CID 5224732

2-amino-4-(4-bromophenyl)-1-(4-chlorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Structural Information

Molecular Formula
C24H21BrClN3O
SMILES
CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)Cl)N)C#N)C4=CC=C(C=C4)Br)C(=O)C1)C
InChI
InChI=1S/C24H21BrClN3O/c1-24(2)11-19-22(20(30)12-24)21(14-3-5-15(25)6-4-14)18(13-27)23(28)29(19)17-9-7-16(26)8-10-17/h3-10,21H,11-12,28H2,1-2H3
InChIKey
WJKKIDSWVDUEEL-UHFFFAOYSA-N
Compound name
2-amino-4-(4-bromophenyl)-1-(4-chlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.05566 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.06294 203.6
[M+Na]+ 504.04488 210.4
[M+NH4]+ 499.08948 206.7
[M+K]+ 520.01882 202.3
[M-H]- 480.04838 202.2
[M+Na-2H]- 502.03033 206.2
[M]+ 481.05511 203.1
[M]- 481.05621 203.1
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.