CID 3236334

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

Structural Information

Molecular Formula
C23H22N4O
SMILES
CC1(CC2=C(C(C(=C(N2C3=CC=CC=C3)N)C#N)C4=CN=CC=C4)C(=O)C1)C
InChI
InChI=1S/C23H22N4O/c1-23(2)11-18-21(19(28)12-23)20(15-7-6-10-26-14-15)17(13-24)22(25)27(18)16-8-4-3-5-9-16/h3-10,14,20H,11-12,25H2,1-2H3
InChIKey
KAZYFTWMQZVBLD-UHFFFAOYSA-N
Compound name
2-amino-7,7-dimethyl-5-oxo-1-phenyl-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

370.17935 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.18663 193.9
[M+Na]+ 393.16857 208.6
[M+NH4]+ 388.21317 199.4
[M+K]+ 409.14251 194.8
[M-H]- 369.17207 192.8
[M+Na-2H]- 391.15402 199.9
[M]+ 370.17880 195.1
[M]- 370.17990 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.