CID 514108

Chembl16299

Structural Information

Molecular Formula
C22H17N3O4
SMILES
C1=CC=C(C=C1)C(=O)C2=C(N(C3=C2C=CC(=C3)NC(=O)NC4=CC=CC=C4)O)O
InChI
InChI=1S/C22H17N3O4/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/h1-13,27,29H,(H2,23,24,28)
InChIKey
NCXUMVDNZWMXMO-UHFFFAOYSA-N
Compound name
1-(3-benzoyl-1,2-dihydroxyindol-6-yl)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

387.12192 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.12920 187.7
[M+Na]+ 410.11114 194.4
[M-H]- 386.11464 195.7
[M+NH4]+ 405.15574 198.1
[M+K]+ 426.08508 188.9
[M+H-H2O]+ 370.11918 178.3
[M+HCOO]- 432.12012 209.3
[M+CH3COO]- 446.13577 197.2
[M+Na-2H]- 408.09659 191.0
[M]+ 387.12137 188.0
[M]- 387.12247 188.0
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.