CID 4221124

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

Structural Information

Molecular Formula
C21H18N4O
SMILES
C1CC2=C(C(C(=C(N2C3=CC=CC=C3)N)C#N)C4=CN=CC=C4)C(=O)C1
InChI
InChI=1S/C21H18N4O/c22-12-16-19(14-6-5-11-24-13-14)20-17(9-4-10-18(20)26)25(21(16)23)15-7-2-1-3-8-15/h1-3,5-8,11,13,19H,4,9-10,23H2
InChIKey
BUVUSHDAEPRTRI-UHFFFAOYSA-N
Compound name
2-amino-5-oxo-1-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.14807 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.15535 189.5
[M+Na]+ 365.13729 204.1
[M+NH4]+ 360.18189 194.0
[M+K]+ 381.11123 191.8
[M-H]- 341.14079 188.4
[M+Na-2H]- 363.12274 194.7
[M]+ 342.14752 190.5
[M]- 342.14862 190.5
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.