CID 3690416

476483-68-8

Structural Information

Molecular Formula
C23H17BrN4O
SMILES
C1CC2=C(C(C(=C(N2C3=CC=CC=C3C#N)N)C#N)C4=CC(=CC=C4)Br)C(=O)C1
InChI
InChI=1S/C23H17BrN4O/c24-16-7-3-6-14(11-16)21-17(13-26)23(27)28(18-8-2-1-5-15(18)12-25)19-9-4-10-20(29)22(19)21/h1-3,5-8,11,21H,4,9-10,27H2
InChIKey
SZGWWZBREZIIJX-UHFFFAOYSA-N
Compound name
2-amino-4-(3-bromophenyl)-1-(2-cyanophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.05856 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.06584 209.6
[M+Na]+ 467.04778 213.9
[M+NH4]+ 462.09238 208.5
[M+K]+ 483.02172 205.8
[M-H]- 443.05128 203.1
[M+Na-2H]- 465.03323 207.4
[M]+ 444.05801 206.7
[M]- 444.05911 206.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.