CID 4038364

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

Structural Information

Molecular Formula
C26H26ClN3O3
SMILES
CC1(CC2=C(C(C(=C(N2C3=C(C=C(C=C3)OC)OC)N)C#N)C4=CC=C(C=C4)Cl)C(=O)C1)C
InChI
InChI=1S/C26H26ClN3O3/c1-26(2)12-20-24(21(31)13-26)23(15-5-7-16(27)8-6-15)18(14-28)25(29)30(20)19-10-9-17(32-3)11-22(19)33-4/h5-11,23H,12-13,29H2,1-4H3
InChIKey
MOJMWRXAYBUGDE-UHFFFAOYSA-N
Compound name
2-amino-4-(4-chlorophenyl)-1-(2,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.16626 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.17354 208.6
[M+Na]+ 486.15548 223.7
[M+NH4]+ 481.20008 213.6
[M+K]+ 502.12942 210.0
[M-H]- 462.15898 207.6
[M+Na-2H]- 484.14093 213.4
[M]+ 463.16571 210.2
[M]- 463.16681 210.2
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.