CID 16076151

2-(4-bromophenyl)-n-[(e)-(4-bromophenyl)methyleneamino]quinoline-4-carboxamide

Structural Information

Molecular Formula
C23H15Br2N3O
SMILES
C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Br)C(=O)N/N=C/C4=CC=C(C=C4)Br
InChI
InChI=1S/C23H15Br2N3O/c24-17-9-5-15(6-10-17)14-26-28-23(29)20-13-22(16-7-11-18(25)12-8-16)27-21-4-2-1-3-19(20)21/h1-14H,(H,28,29)/b26-14+
InChIKey
QMWGMFFTSIRAMT-VULFUBBASA-N
Compound name
2-(4-bromophenyl)-N-[(E)-(4-bromophenyl)methylideneamino]quinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

506.9582 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.96548 191.6
[M+Na]+ 529.94742 199.0
[M-H]- 505.95092 202.5
[M+NH4]+ 524.99202 202.6
[M+K]+ 545.92136 183.2
[M+H-H2O]+ 489.95546 195.8
[M+HCOO]- 551.95640 206.9
[M+CH3COO]- 565.97205 201.7
[M+Na-2H]- 527.93287 197.0
[M]+ 506.95765 224.6
[M]- 506.95875 224.6
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.