CID 3582271

2-amino-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Structural Information

Molecular Formula
C24H22N4O3
SMILES
CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)[N+](=O)[O-])N)C#N)C4=CC=CC=C4)C(=O)C1)C
InChI
InChI=1S/C24H22N4O3/c1-24(2)12-19-22(20(29)13-24)21(15-6-4-3-5-7-15)18(14-25)23(26)27(19)16-8-10-17(11-9-16)28(30)31/h3-11,21H,12-13,26H2,1-2H3
InChIKey
SWEZFGJGENRFEF-UHFFFAOYSA-N
Compound name
2-amino-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-4-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.1692 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.17648 200.9
[M+Na]+ 437.15842 215.1
[M+NH4]+ 432.20302 205.8
[M+K]+ 453.13236 204.3
[M-H]- 413.16192 200.9
[M+Na-2H]- 435.14387 205.9
[M]+ 414.16865 202.2
[M]- 414.16975 202.2
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.