CID 200632

3-benzoyloxyacetylindole

Structural Information

Molecular Formula
C17H13NO3
SMILES
C1=CC=C(C=C1)C(=O)OCC(=O)C2=CNC3=CC=CC=C32
InChI
InChI=1S/C17H13NO3/c19-16(11-21-17(20)12-6-2-1-3-7-12)14-10-18-15-9-5-4-8-13(14)15/h1-10,18H,11H2
InChIKey
SWYFHXFOEDBRAI-UHFFFAOYSA-N
Compound name
[2-(1H-indol-3-yl)-2-oxoethyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.08954 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.09682 162.9
[M+Na]+ 302.07876 176.7
[M+NH4]+ 297.12336 170.5
[M+K]+ 318.05270 171.6
[M-H]- 278.08226 165.7
[M+Na-2H]- 300.06421 170.7
[M]+ 279.08899 165.6
[M]- 279.09009 165.6
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.