CID 514107

Chembl16239

Structural Information

Molecular Formula
C26H18N2O4
SMILES
C1=CC=C(C=C1)C(=O)C2=C(N(C3=C2C=CC(=C3)NC(=O)C4=CC5=CC=CC=C5C=C4)O)O
InChI
InChI=1S/C26H18N2O4/c29-24(17-7-2-1-3-8-17)23-21-13-12-20(15-22(21)28(32)26(23)31)27-25(30)19-11-10-16-6-4-5-9-18(16)14-19/h1-15,31-32H,(H,27,30)
InChIKey
LGNVQIXVQWIJPW-UHFFFAOYSA-N
Compound name
N-(3-benzoyl-1,2-dihydroxyindol-6-yl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

422.12665 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.13393 198.7
[M+Na]+ 445.11587 206.2
[M-H]- 421.11937 207.3
[M+NH4]+ 440.16047 208.6
[M+K]+ 461.08981 199.6
[M+H-H2O]+ 405.12391 188.9
[M+HCOO]- 467.12485 217.1
[M+CH3COO]- 481.14050 207.6
[M+Na-2H]- 443.10132 201.2
[M]+ 422.12610 199.9
[M]- 422.12720 199.9
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.