CID 5023589

339336-46-8

Structural Information

Molecular Formula
C26H24F3N3O2
SMILES
CC1(CC2=C(C(C(=C(N2C3=CC=CC=C3C(F)(F)F)N)C#N)C4=CC=C(C=C4)OC)C(=O)C1)C
InChI
InChI=1S/C26H24F3N3O2/c1-25(2)12-20-23(21(33)13-25)22(15-8-10-16(34-3)11-9-15)17(14-30)24(31)32(20)19-7-5-4-6-18(19)26(27,28)29/h4-11,22H,12-13,31H2,1-3H3
InChIKey
RVLRLSBVFFXYCG-UHFFFAOYSA-N
Compound name
2-amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.18207 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.18935 211.7
[M+Na]+ 490.17129 222.7
[M+NH4]+ 485.21589 214.0
[M+K]+ 506.14523 210.3
[M-H]- 466.17479 205.4
[M+Na-2H]- 488.15674 213.9
[M]+ 467.18152 210.8
[M]- 467.18262 210.8
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.