CID 4359086

2-amino-1-(4-fluorophenyl)-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

Structural Information

Molecular Formula
C25H24FN3O2
SMILES
CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)F)N)C#N)C4=CC=C(C=C4)OC)C(=O)C1)C
InChI
InChI=1S/C25H24FN3O2/c1-25(2)12-20-23(21(30)13-25)22(15-4-10-18(31-3)11-5-15)19(14-27)24(28)29(20)17-8-6-16(26)7-9-17/h4-11,22H,12-13,28H2,1-3H3
InChIKey
OMMORDGMCANSNM-UHFFFAOYSA-N
Compound name
2-amino-1-(4-fluorophenyl)-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

417.18524 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.19252 203.4
[M+Na]+ 440.17446 217.3
[M+NH4]+ 435.21906 207.9
[M+K]+ 456.14840 203.5
[M-H]- 416.17796 200.9
[M+Na-2H]- 438.15991 207.8
[M]+ 417.18469 204.1
[M]- 417.18579 204.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.