CID 514111

Chembl280446

Structural Information

Molecular Formula
C24H16N4O4
SMILES
C1=CC=C(C=C1)C(=O)C2=C(N(C3=C2C=CC(=C3)NC(=O)C4=NC5=CC=CC=C5N=C4)O)O
InChI
InChI=1S/C24H16N4O4/c29-22(14-6-2-1-3-7-14)21-16-11-10-15(12-20(16)28(32)24(21)31)26-23(30)19-13-25-17-8-4-5-9-18(17)27-19/h1-13,31-32H,(H,26,30)
InChIKey
DGGWPOLBNNKTSF-UHFFFAOYSA-N
Compound name
N-(3-benzoyl-1,2-dihydroxyindol-6-yl)quinoxaline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

424.11716 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.12444 197.8
[M+Na]+ 447.10638 206.1
[M-H]- 423.10988 204.3
[M+NH4]+ 442.15098 204.9
[M+K]+ 463.08032 199.2
[M+H-H2O]+ 407.11442 186.8
[M+HCOO]- 469.11536 214.2
[M+CH3COO]- 483.13101 206.0
[M+Na-2H]- 445.09183 201.6
[M]+ 424.11661 199.3
[M]- 424.11771 199.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.