CID 3883719

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

Structural Information

Molecular Formula
C24H22FN3O
SMILES
CCC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=CC=C4F)N)C#N
InChI
InChI=1S/C24H22FN3O/c1-2-15-10-12-16(13-11-15)22-17(14-26)24(27)28(19-7-4-3-6-18(19)25)20-8-5-9-21(29)23(20)22/h3-4,6-7,10-13,22H,2,5,8-9,27H2,1H3
InChIKey
UNSICWDGJITXIS-UHFFFAOYSA-N
Compound name
2-amino-4-(4-ethylphenyl)-1-(2-fluorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.17468 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.18196 198.9
[M+Na]+ 410.16390 209.0
[M-H]- 386.16740 203.7
[M+NH4]+ 405.20850 208.1
[M+K]+ 426.13784 198.2
[M+H-H2O]+ 370.17194 181.5
[M+HCOO]- 432.17288 211.3
[M+CH3COO]- 446.18853 205.6
[M+Na-2H]- 408.14935 197.1
[M]+ 387.17413 189.2
[M]- 387.17523 189.2
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.