CID 514115

Chembl275631

Structural Information

Molecular Formula
C22H16N2O4
SMILES
C1=CC=C(C=C1)C(=O)C2=C(N(C3=C2C=CC(=C3)NC(=O)C4=CC=CC=C4)O)O
InChI
InChI=1S/C22H16N2O4/c25-20(14-7-3-1-4-8-14)19-17-12-11-16(13-18(17)24(28)22(19)27)23-21(26)15-9-5-2-6-10-15/h1-13,27-28H,(H,23,26)
InChIKey
DTEXPTGYCIEZRU-UHFFFAOYSA-N
Compound name
N-(3-benzoyl-1,2-dihydroxyindol-6-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

372.111 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.11828 185.4
[M+Na]+ 395.10022 193.0
[M-H]- 371.10372 193.3
[M+NH4]+ 390.14482 196.7
[M+K]+ 411.07416 187.2
[M+H-H2O]+ 355.10826 176.3
[M+HCOO]- 417.10920 205.9
[M+CH3COO]- 431.12485 195.4
[M+Na-2H]- 393.08567 187.8
[M]+ 372.11045 186.3
[M]- 372.11155 186.3
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.