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 162.7
[M+Na]+ 302.07876 170.5
[M-H]- 278.08226 168.1
[M+NH4]+ 297.12336 178.9
[M+K]+ 318.05270 165.8
[M+H-H2O]+ 262.08680 154.8
[M+HCOO]- 324.08774 184.3
[M+CH3COO]- 338.10339 195.1
[M+Na-2H]- 300.06421 167.0
[M]+ 279.08899 164.4
[M]- 279.09009 164.4
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

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