CID 2845059

351166-33-1

Structural Information

Molecular Formula
C23H20BrN3O2
SMILES
COC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=C(C=C4)Br)N)C#N
InChI
InChI=1S/C23H20BrN3O2/c1-29-17-11-5-14(6-12-17)21-18(13-25)23(26)27(16-9-7-15(24)8-10-16)19-3-2-4-20(28)22(19)21/h5-12,21H,2-4,26H2,1H3
InChIKey
FTJQRZCJXHJPBF-UHFFFAOYSA-N
Compound name
2-amino-1-(4-bromophenyl)-4-(4-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

449.07388 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.08116 200.3
[M+Na]+ 472.06310 205.9
[M+NH4]+ 467.10770 201.7
[M+K]+ 488.03704 200.0
[M-H]- 448.06660 198.5
[M+Na-2H]- 470.04855 201.6
[M]+ 449.07333 199.0
[M]- 449.07443 199.0
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.