CID 514121

Chembl275420

Structural Information

Molecular Formula
C22H14Cl2N2O4
SMILES
C1=CC=C(C=C1)C(=O)C2=C(N(C3=C2C=CC(=C3)NC(=O)C4=C(C=C(C=C4)Cl)Cl)O)O
InChI
InChI=1S/C22H14Cl2N2O4/c23-13-6-8-15(17(24)10-13)21(28)25-14-7-9-16-18(11-14)26(30)22(29)19(16)20(27)12-4-2-1-3-5-12/h1-11,29-30H,(H,25,28)
InChIKey
TZNARLVBTOCKBQ-UHFFFAOYSA-N
Compound name
N-(3-benzoyl-1,2-dihydroxyindol-6-yl)-2,4-dichlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

440.03305 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.04033 197.8
[M+Na]+ 463.02227 208.3
[M-H]- 439.02577 205.5
[M+NH4]+ 458.06687 208.4
[M+K]+ 478.99621 200.6
[M+H-H2O]+ 423.03031 190.3
[M+HCOO]- 485.03125 208.8
[M+CH3COO]- 499.04690 207.3
[M+Na-2H]- 461.00772 197.6
[M]+ 440.03250 203.8
[M]- 440.03360 203.8
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.