CID 3333920

2-amino-4-(2-chlorophenyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

Structural Information

Molecular Formula
C25H20Cl2F3N3O
SMILES
CC1(CC2=C(C(C(=C(N2C3=C(C=CC(=C3)C(F)(F)F)Cl)N)C#N)C4=CC=CC=C4Cl)C(=O)C1)C
InChI
InChI=1S/C25H20Cl2F3N3O/c1-24(2)10-19-22(20(34)11-24)21(14-5-3-4-6-16(14)26)15(12-31)23(32)33(19)18-9-13(25(28,29)30)7-8-17(18)27/h3-9,21H,10-11,32H2,1-2H3
InChIKey
VBCVJANPSQKMRL-UHFFFAOYSA-N
Compound name
2-amino-4-(2-chlorophenyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-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

505.09357 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.10085 208.8
[M+Na]+ 528.08279 221.4
[M+NH4]+ 523.12739 212.1
[M+K]+ 544.05673 208.4
[M-H]- 504.08629 203.2
[M+Na-2H]- 526.06824 211.7
[M]+ 505.09302 208.9
[M]- 505.09412 208.9
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

No patent data available for this compound.