CID 514117

Chembl277284

Structural Information

Molecular Formula
C22H23N3O4
SMILES
C1CCC(CC1)NC(=O)NC2=CC3=C(C=C2)C(=C(N3O)O)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C22H23N3O4/c26-20(14-7-3-1-4-8-14)19-17-12-11-16(13-18(17)25(29)21(19)27)24-22(28)23-15-9-5-2-6-10-15/h1,3-4,7-8,11-13,15,27,29H,2,5-6,9-10H2,(H2,23,24,28)
InChIKey
DVTBQQZLFKETBF-UHFFFAOYSA-N
Compound name
1-(3-benzoyl-1,2-dihydroxyindol-6-yl)-3-cyclohexylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

393.16885 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.17613 189.3
[M+Na]+ 416.15807 193.0
[M-H]- 392.16157 195.9
[M+NH4]+ 411.20267 199.2
[M+K]+ 432.13201 188.0
[M+H-H2O]+ 376.16611 180.0
[M+HCOO]- 438.16705 206.7
[M+CH3COO]- 452.18270 197.3
[M+Na-2H]- 414.14352 189.9
[M]+ 393.16830 185.4
[M]- 393.16940 185.4
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.