CID 4250228

2-amino-1-(3-chlorophenyl)-4-[4-(dimethylamino)phenyl]-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

Structural Information

Molecular Formula
C30H27ClN4O
SMILES
CN(C)C1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CC(C3)C4=CC=CC=C4)C5=CC(=CC=C5)Cl)N)C#N
InChI
InChI=1S/C30H27ClN4O/c1-34(2)23-13-11-20(12-14-23)28-25(18-32)30(33)35(24-10-6-9-22(31)17-24)26-15-21(16-27(36)29(26)28)19-7-4-3-5-8-19/h3-14,17,21,28H,15-16,33H2,1-2H3
InChIKey
AKOTWWOOWGNISC-UHFFFAOYSA-N
Compound name
2-amino-1-(3-chlorophenyl)-4-[4-(dimethylamino)phenyl]-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

494.18735 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.19463 231.0
[M+Na]+ 517.17657 240.6
[M-H]- 493.18007 239.4
[M+NH4]+ 512.22117 236.6
[M+K]+ 533.15051 228.4
[M+H-H2O]+ 477.18461 212.7
[M+HCOO]- 539.18555 240.3
[M+CH3COO]- 553.20120 235.9
[M+Na-2H]- 515.16202 227.2
[M]+ 494.18680 224.6
[M]- 494.18790 224.6
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.