CID 6479293

Chembl276316

Structural Information

Molecular Formula
C19H15ClN2O4
SMILES
CC(=O)C1=C(N(C2=C1C=CC(=C2)NC(=O)/C=C/C3=CC=CC=C3Cl)O)O
InChI
InChI=1S/C19H15ClN2O4/c1-11(23)18-14-8-7-13(10-16(14)22(26)19(18)25)21-17(24)9-6-12-4-2-3-5-15(12)20/h2-10,25-26H,1H3,(H,21,24)/b9-6+
InChIKey
IDLFAZPSQXUXFF-RMKNXTFCSA-N
Compound name
(E)-N-(3-acetyl-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

370.07202 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.07930 184.1
[M+Na]+ 393.06124 194.0
[M-H]- 369.06474 189.1
[M+NH4]+ 388.10584 197.4
[M+K]+ 409.03518 187.1
[M+H-H2O]+ 353.06928 177.3
[M+HCOO]- 415.07022 200.2
[M+CH3COO]- 429.08587 213.4
[M+Na-2H]- 391.04669 184.5
[M]+ 370.07147 188.6
[M]- 370.07257 188.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.