CID 3473169

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

Structural Information

Molecular Formula
C28H21Cl2N3O
SMILES
C1C(CC(=O)C2=C1N(C(=C(C2C3=CC=CC=C3Cl)C#N)N)C4=CC(=CC=C4)Cl)C5=CC=CC=C5
InChI
InChI=1S/C28H21Cl2N3O/c29-19-9-6-10-20(15-19)33-24-13-18(17-7-2-1-3-8-17)14-25(34)27(24)26(22(16-31)28(33)32)21-11-4-5-12-23(21)30/h1-12,15,18,26H,13-14,32H2
InChIKey
CEJSRDVZIFEEHL-UHFFFAOYSA-N
Compound name
2-amino-4-(2-chlorophenyl)-1-(3-chlorophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.10617 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.11345 220.3
[M+Na]+ 508.09539 238.2
[M+NH4]+ 503.13999 225.8
[M+K]+ 524.06933 223.1
[M-H]- 484.09889 222.4
[M+Na-2H]- 506.08084 226.8
[M]+ 485.10562 223.6
[M]- 485.10672 223.6
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.