CID 4651674

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

Structural Information

Molecular Formula
C21H17ClN4O
SMILES
C1CC2=C(C(C(=C(N2C3=CC=C(C=C3)Cl)N)C#N)C4=CN=CC=C4)C(=O)C1
InChI
InChI=1S/C21H17ClN4O/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
INMHXFUBNIPSFA-UHFFFAOYSA-N
Compound name
2-amino-1-(4-chlorophenyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

376.1091 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.11638 193.5
[M+Na]+ 399.09832 209.1
[M+NH4]+ 394.14292 198.3
[M+K]+ 415.07226 196.4
[M-H]- 375.10182 192.6
[M+Na-2H]- 397.08377 198.6
[M]+ 376.10855 195.1
[M]- 376.10965 195.1
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.