CID 3473349

2-amino-1-(2-cyanophenyl)-4-(2,4-dimethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Structural Information

Molecular Formula
C25H22N4O3
SMILES
COC1=CC(=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=CC=C4C#N)N)C#N)OC
InChI
InChI=1S/C25H22N4O3/c1-31-16-10-11-17(22(12-16)32-2)23-18(14-27)25(28)29(19-7-4-3-6-15(19)13-26)20-8-5-9-21(30)24(20)23/h3-4,6-7,10-12,23H,5,8-9,28H2,1-2H3
InChIKey
DXPKTZPTKMIPIY-UHFFFAOYSA-N
Compound name
2-amino-1-(2-cyanophenyl)-4-(2,4-dimethoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.1692 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.17648 216.8
[M+Na]+ 449.15842 226.6
[M+NH4]+ 444.20302 216.4
[M+K]+ 465.13236 214.3
[M-H]- 425.16192 209.5
[M+Na-2H]- 447.14387 215.3
[M]+ 426.16865 214.9
[M]- 426.16975 214.9
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.