CID 3239715

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

Structural Information

Molecular Formula
C21H17BrN4O
SMILES
C1CC2=C(C(C(=C(N2C3=CC=C(C=C3)Br)N)C#N)C4=CN=CC=C4)C(=O)C1
InChI
InChI=1S/C21H17BrN4O/c22-14-6-8-15(9-7-14)26-17-4-1-5-18(27)20(17)19(16(11-23)21(26)24)13-3-2-10-25-12-13/h2-3,6-10,12,19H,1,4-5,24H2
InChIKey
YKKSASFLZPMOSZ-UHFFFAOYSA-N
Compound name
2-amino-1-(4-bromophenyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

420.05856 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.06584 194.8
[M+Na]+ 443.04778 200.6
[M+NH4]+ 438.09238 196.3
[M+K]+ 459.02172 194.7
[M-H]- 419.05128 192.7
[M+Na-2H]- 441.03323 196.6
[M]+ 420.05801 193.4
[M]- 420.05911 193.4
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.