CID 6479294

Chembl277536

Structural Information

Molecular Formula
C24H17ClN2O4
SMILES
C1=CC=C(C=C1)C(=O)C2=C(N(C3=C2C=CC(=C3)NC(=O)/C=C/C4=CC=CC=C4Cl)O)O
InChI
InChI=1S/C24H17ClN2O4/c25-19-9-5-4-6-15(19)10-13-21(28)26-17-11-12-18-20(14-17)27(31)24(30)22(18)23(29)16-7-2-1-3-8-16/h1-14,30-31H,(H,26,28)/b13-10+
InChIKey
IOBXTEVGZJYPFM-JLHYYAGUSA-N
Compound name
(E)-N-(3-benzoyl-1,2-dihydroxyindol-6-yl)-3-(2-chlorophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

432.08768 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.09496 201.1
[M+Na]+ 455.07690 209.8
[M-H]- 431.08040 208.9
[M+NH4]+ 450.12150 211.1
[M+K]+ 471.05084 201.8
[M+H-H2O]+ 415.08494 192.4
[M+HCOO]- 477.08588 216.6
[M+CH3COO]- 491.10153 210.2
[M+Na-2H]- 453.06235 201.2
[M]+ 432.08713 204.9
[M]- 432.08823 204.9
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.