CID 3071530

Brn 5452097

Structural Information

Molecular Formula
C23H15N3O2
SMILES
C1=CC=C(C=C1)NC(=O)C2=CC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C52
InChI
InChI=1S/C23H15N3O2/c27-22(24-15-8-2-1-3-9-15)18-14-21-25-19-12-6-4-11-17(19)23(28)26(21)20-13-7-5-10-16(18)20/h1-14H,(H,24,27)
InChIKey
ONPMMWWDXNWCRY-UHFFFAOYSA-N
Compound name
12-oxo-N-phenylquinolino[2,1-b]quinazoline-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.11642 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.12370 185.2
[M+Na]+ 388.10564 195.0
[M-H]- 364.10914 192.1
[M+NH4]+ 383.15024 196.7
[M+K]+ 404.07958 187.3
[M+H-H2O]+ 348.11368 173.2
[M+HCOO]- 410.11462 204.2
[M+CH3COO]- 424.13027 195.1
[M+Na-2H]- 386.09109 195.0
[M]+ 365.11587 186.8
[M]- 365.11697 186.8
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.