CID 514119

Chembl16453

Structural Information

Molecular Formula
C20H15N3O5
SMILES
CC1=CC(=NO1)C(=O)NC2=CC3=C(C=C2)C(=C(N3O)O)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C20H15N3O5/c1-11-9-15(22-28-11)19(25)21-13-7-8-14-16(10-13)23(27)20(26)17(14)18(24)12-5-3-2-4-6-12/h2-10,26-27H,1H3,(H,21,25)
InChIKey
SUZYZAUFEBEJFW-UHFFFAOYSA-N
Compound name
N-(3-benzoyl-1,2-dihydroxyindol-6-yl)-5-methyl-1,2-oxazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

377.10117 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.10845 185.0
[M+Na]+ 400.09039 194.0
[M-H]- 376.09389 193.6
[M+NH4]+ 395.13499 195.7
[M+K]+ 416.06433 190.5
[M+H-H2O]+ 360.09843 177.0
[M+HCOO]- 422.09937 205.1
[M+CH3COO]- 436.11502 195.7
[M+Na-2H]- 398.07584 185.6
[M]+ 377.10062 189.3
[M]- 377.10172 189.3
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.