CID 4415576

311327-33-0

Structural Information

Molecular Formula
C23H17ClF3N3O
SMILES
C1CC2=C(C(C(=C(N2C3=CC=CC(=C3)C(F)(F)F)N)C#N)C4=CC=C(C=C4)Cl)C(=O)C1
InChI
InChI=1S/C23H17ClF3N3O/c24-15-9-7-13(8-10-15)20-17(12-28)22(29)30(18-5-2-6-19(31)21(18)20)16-4-1-3-14(11-16)23(25,26)27/h1,3-4,7-11,20H,2,5-6,29H2
InChIKey
UNTLNNOZJNHROQ-UHFFFAOYSA-N
Compound name
2-amino-4-(4-chlorophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.10123 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.10851 203.8
[M+Na]+ 466.09045 215.9
[M+NH4]+ 461.13505 206.1
[M+K]+ 482.06439 204.2
[M-H]- 442.09395 198.2
[M+Na-2H]- 464.07590 206.0
[M]+ 443.10068 203.4
[M]- 443.10178 203.4
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.