CID 3071533

Brn 5458194

Structural Information

Molecular Formula
C24H15N3O4
SMILES
C1=CC=C2C(=C1)C(=O)N3C4=CC=CC=C4C(=CC3=N2)C(=O)NC5=CC=CC(=C5)C(=O)O
InChI
InChI=1S/C24H15N3O4/c28-22(25-15-7-5-6-14(12-15)24(30)31)18-13-21-26-19-10-3-1-9-17(19)23(29)27(21)20-11-4-2-8-16(18)20/h1-13H,(H,25,28)(H,30,31)
InChIKey
VMDSUCKSZVFBCJ-UHFFFAOYSA-N
Compound name
3-[(12-oxoquinolino[2,1-b]quinazoline-5-carbonyl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.10626 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.11354 195.4
[M+Na]+ 432.09548 213.0
[M+NH4]+ 427.14008 202.2
[M+K]+ 448.06942 204.5
[M-H]- 408.09898 200.4
[M+Na-2H]- 430.08093 203.6
[M]+ 409.10571 199.4
[M]- 409.10681 199.4
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.