CID 4075286

311328-59-3

Structural Information

Molecular Formula
C25H21ClF3N3O
SMILES
CC1(CC2=C(C(C(=C(N2C3=CC=CC(=C3)C(F)(F)F)N)C#N)C4=CC=C(C=C4)Cl)C(=O)C1)C
InChI
InChI=1S/C25H21ClF3N3O/c1-24(2)11-19-22(20(33)12-24)21(14-6-8-16(26)9-7-14)18(13-30)23(31)32(19)17-5-3-4-15(10-17)25(27,28)29/h3-10,21H,11-12,31H2,1-2H3
InChIKey
VGACJHSEWNBWJT-UHFFFAOYSA-N
Compound name
2-amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.13254 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.13982 207.9
[M+Na]+ 494.12176 220.1
[M+NH4]+ 489.16636 211.1
[M+K]+ 510.09570 207.0
[M-H]- 470.12526 202.2
[M+Na-2H]- 492.10721 210.9
[M]+ 471.13199 207.7
[M]- 471.13309 207.7
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.