CID 3964678

2-amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Structural Information

Molecular Formula
C24H23ClN4O
SMILES
CC1=C(C=CC=C1Cl)N2C3=C(C(C(=C2N)C#N)C4=CN=CC=C4)C(=O)CC(C3)(C)C
InChI
InChI=1S/C24H23ClN4O/c1-14-17(25)7-4-8-18(14)29-19-10-24(2,3)11-20(30)22(19)21(16(12-26)23(29)27)15-6-5-9-28-13-15/h4-9,13,21H,10-11,27H2,1-3H3
InChIKey
GCJGYDXOCKWUFH-UHFFFAOYSA-N
Compound name
2-amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

418.15604 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.16332 200.9
[M+Na]+ 441.14526 216.8
[M+NH4]+ 436.18986 206.5
[M+K]+ 457.11920 202.5
[M-H]- 417.14876 200.1
[M+Na-2H]- 439.13071 206.6
[M]+ 418.15549 202.8
[M]- 418.15659 202.8
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.