CID 3062675

3-(p-acetoxybenzoyl)-n-acetylindole

Structural Information

Molecular Formula
C19H15NO4
SMILES
CC(=O)N1C=C(C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)OC(=O)C
InChI
InChI=1S/C19H15NO4/c1-12(21)20-11-17(16-5-3-4-6-18(16)20)19(23)14-7-9-15(10-8-14)24-13(2)22/h3-11H,1-2H3
InChIKey
QSYNROZEBZNRJI-UHFFFAOYSA-N
Compound name
[4-(1-acetylindole-3-carbonyl)phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

321.1001 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.10738 172.5
[M+Na]+ 344.08932 186.3
[M+NH4]+ 339.13392 179.0
[M+K]+ 360.06326 182.2
[M-H]- 320.09282 174.9
[M+Na-2H]- 342.07477 179.1
[M]+ 321.09955 175.0
[M]- 321.10065 175.0
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

patents stripe