CID 3071532

Brn 5455532

Structural Information

Molecular Formula
C23H14BrN3O2
SMILES
C1=CC=C2C(=C1)C(=O)N3C4=CC=CC=C4C(=CC3=N2)C(=O)NC5=CC=C(C=C5)Br
InChI
InChI=1S/C23H14BrN3O2/c24-14-9-11-15(12-10-14)25-22(28)18-13-21-26-19-7-3-1-6-17(19)23(29)27(21)20-8-4-2-5-16(18)20/h1-13H,(H,25,28)
InChIKey
LBFPMWLRMRBEJQ-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-12-oxoquinolino[2,1-b]quinazoline-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.02695 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.03423 192.1
[M+Na]+ 466.01617 201.0
[M+NH4]+ 461.06077 197.0
[M+K]+ 481.99011 197.2
[M-H]- 442.01967 196.5
[M+Na-2H]- 464.00162 198.1
[M]+ 443.02640 193.8
[M]- 443.02750 193.8
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.