CID 3961404

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

Structural Information

Molecular Formula
C26H27N3O3
SMILES
CC1(CC2=C(C(C(=C(N2C3=CC=CC=C3)N)C#N)C4=CC(=C(C=C4)OC)OC)C(=O)C1)C
InChI
InChI=1S/C26H27N3O3/c1-26(2)13-19-24(20(30)14-26)23(16-10-11-21(31-3)22(12-16)32-4)18(15-27)25(28)29(19)17-8-6-5-7-9-17/h5-12,23H,13-14,28H2,1-4H3
InChIKey
JWZTXGBXDPVUIT-UHFFFAOYSA-N
Compound name
2-amino-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

429.20523 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.21251 205.3
[M+Na]+ 452.19445 219.3
[M+NH4]+ 447.23905 210.0
[M+K]+ 468.16839 206.2
[M-H]- 428.19795 204.1
[M+Na-2H]- 450.17990 210.1
[M]+ 429.20468 206.4
[M]- 429.20578 206.4
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.