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 194.3
[M+Na]+ 432.09548 203.4
[M-H]- 408.09898 200.3
[M+NH4]+ 427.14008 203.2
[M+K]+ 448.06942 196.8
[M+H-H2O]+ 392.10352 182.7
[M+HCOO]- 454.10446 210.9
[M+CH3COO]- 468.12011 203.1
[M+Na-2H]- 430.08093 201.9
[M]+ 409.10571 196.5
[M]- 409.10681 196.5
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.