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 196.6
[M+Na]+ 466.01617 208.6
[M-H]- 442.01967 205.7
[M+NH4]+ 461.06077 209.1
[M+K]+ 481.99011 195.2
[M+H-H2O]+ 426.02421 192.1
[M+HCOO]- 488.02515 213.2
[M+CH3COO]- 502.04080 207.6
[M+Na-2H]- 464.00162 205.7
[M]+ 443.02640 216.6
[M]- 443.02750 216.6
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.