CID 3260720

2-amino-5-oxo-1,4-diphenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Structural Information

Molecular Formula
C22H19N3O
SMILES
C1CC2=C(C(C(=C(N2C3=CC=CC=C3)N)C#N)C4=CC=CC=C4)C(=O)C1
InChI
InChI=1S/C22H19N3O/c23-14-17-20(15-8-3-1-4-9-15)21-18(12-7-13-19(21)26)25(22(17)24)16-10-5-2-6-11-16/h1-6,8-11,20H,7,12-13,24H2
InChIKey
GMOZPIWJNXJPFA-UHFFFAOYSA-N
Compound name
2-amino-5-oxo-1,4-diphenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

341.1528 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.16008 189.4
[M+Na]+ 364.14202 204.0
[M+NH4]+ 359.18662 194.4
[M+K]+ 380.11596 191.3
[M-H]- 340.14552 189.0
[M+Na-2H]- 362.12747 194.8
[M]+ 341.15225 190.6
[M]- 341.15335 190.6
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.